SCHEMBL1908557

SCHEMBL1908557

CCc1cccc(OC(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.50
DAO P14920 2/20 0.49
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RXRA P19793 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
BACE1 P56817 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
SOD1 P00441 1/20 0.43
DRD1 P21728 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CETP P11597 2/20 0.41

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
Ammonia Solution, Strong SCHEMBL21272586 0.98 MEP1B (0.49) MEP1BDAOMAPK1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL21272661 0.96 MEP1B (0.48) MEP1BDAOMAPK1L3MBTL1TSHR
SCHEMBL26828702 0.87 MAPK1 (0.47) MEP1BMAPK1L3MBTL1TSHRTDP1
SCHEMBL1696256 0.85 DAO (0.54) MEP1BDAOBACE1MRGPRX4DRD1
SCHEMBL1908523 0.82 MAPK1 (0.49) MAPK1L3MBTL1TSHRTDP1RXRA
SCHEMBL14378255 0.82 PPARA (0.52) MEP1BDAOBACE1
SCHEMBL8179937 0.81 MEP1B (0.51) MEP1BDAOMRGPRX4DRD1HCRTR1
SCHEMBL12093349 0.81 MRGPRX4 (0.49) MEP1BDAOMRGPRX4DRD1HCRTR1
SCHEMBL13766434 0.81 MEP1B (0.48) MEP1BDAOKDM4EALDH1A1SMN1; SMN2
SCHEMBL10210787 0.81 BACE1 (0.49) MEP1BDAOBACE1MRGPRX4DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023230540-A2 INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023230543-A1 INDOLIZINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
WO-2022109362-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
WO-2021236401-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 WO disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2020-07-02 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-02-08 US disclosed
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-02-08 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
WO-2005123050-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 WO 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 (10 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 MEP1B 394/4885DAO 1563/4885MAPK1 4632/4885
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORA, RORC, RORB MEP1B 4146/4885DAO 3270/4885MAPK1 3394/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 MEP1B 3109/4885DAO 1864/4885MAPK1 1/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 MEP1B 1628/4885DAO 4491/4885MAPK1 1077/4885
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 MEP1B 3356/4885DAO 918/4885MAPK1 1903/4885
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same CETP, MTTP, NPC1L1 MEP1B 267/4885DAO 3613/4885MAPK1 3739/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 MEP1B 3152/4885DAO 1794/4885MAPK1 1/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 MEP1B 2561/4885DAO 520/4885MAPK1 111/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 MEP1B 349/4885DAO 189/4885MAPK1 2151/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MEP1B 453/4885DAO 698/4885MAPK1 2860/4885

“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.