SCHEMBL171565

SCHEMBL171565

CC(C)C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.67
MLYCD O95822 1/20 0.59
ALDH1A1 P00352 4/20 0.58
HPGD P15428 1/20 0.58
TRPV1 Q8NER1 3/20 0.57
MAPT P10636 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.55
THRB P10828 1/20 0.54
FAAH O00519 1/20 0.52
MEN1 O00255 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26137616 0.89 MLYCD (0.58) EPHX2MLYCDALDH1A1HPGDTRPV1
SCHEMBL9587452 0.87 EPHX2 (0.63) EPHX2ALDH1A1HPGDTRPV1MAPT
SCHEMBL26137528 0.87 MLYCD (0.56) EPHX2MLYCDALDH1A1HPGDTRPV1
SCHEMBL10294641 0.85 KMT2A (0.53) EPHX2MLYCDALDH1A1HPGDTRPV1
SCHEMBL18896221 0.84 EPHX2 (0.59) EPHX2ALDH1A1HPGDTRPV1MAPT
SCHEMBL21649320 0.83 KMT2A (0.51) EPHX2MLYCDALDH1A1HPGDMAPT
SCHEMBL21649238 0.83 EPHX2 (0.61) EPHX2ALDH1A1HPGDTRPV1MAPT
SCHEMBL27046122 0.82 EPHX2 (0.65) EPHX2ALDH1A1HPGDTRPV1MAPT
SCHEMBL19538915 0.81 MTNR1B (0.57) EPHX2ALDH1A1HPGDMAPTLMNA
SCHEMBL9586158 0.81 EPHX2 (0.55) EPHX2ALDH1A1HPGDTRPV1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-08-25 US claimed
EP-3233836-B1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RES & DEV (FR) 2019-01-30 EP claimed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
US-20210395243-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-12-23 US disclosed
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 US disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
EP-2348023-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-27 EP disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A EPHX2 1339/4885MLYCD 2910/4885ALDH1A1 983/4885
US-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 EPHX2 1514/4885MLYCD 1081/4885ALDH1A1 1844/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT EPHX2 1216/4885MLYCD 1115/4885ALDH1A1 373/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 EPHX2 3507/4885MLYCD 2548/4885ALDH1A1 2035/4885
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) RORA, RORB, RORC EPHX2 1726/4885MLYCD 4358/4885ALDH1A1 587/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 EPHX2 3869/4885MLYCD 1842/4885ALDH1A1 1079/4885
US-20210395243-A1 PESTICIDAL COMPOUNDS NIT2, PNMT, DDT EPHX2 1231/4885MLYCD 1146/4885ALDH1A1 1657/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 EPHX2 1965/4885MLYCD 2671/4885ALDH1A1 3413/4885
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 EPHX2 2412/4885MLYCD 987/4885ALDH1A1 284/4885
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 EPHX2 2412/4885MLYCD 987/4885ALDH1A1 284/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 EPHX2 1965/4885MLYCD 2671/4885ALDH1A1 3413/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 EPHX2 2890/4885MLYCD 315/4885ALDH1A1 3634/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.