SCHEMBL1225880

SCHEMBL1225880

CCOC(=O)c1c(-c2ccccc2)noc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 4/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
PTBP1 P26599 2/20 0.53
ADORA3 P0DMS8 4/20 0.52
GAA P10253 2/20 0.51
NPC1 O15118 2/20 0.50
ATM Q13315 1/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL20507207 0.88 HTT (0.51) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL20507208 0.88 GPBAR1 (0.51) POLBALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL20507211 0.86 HTT (0.53) POLBL3MBTL1ALDH1A1SMN1; SMN2GAA
SCHEMBL407742 0.83 LMNA (0.45) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL536297 0.82 TSHR (0.74) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL14711335 0.81 POLB (0.57) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL31526266 0.81 PTGS1 (0.72) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL535855 0.81 ADORA3 (0.49) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL2321949 0.81 KMT2A (0.54) POLBALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL2319092 0.81 ESR1 (0.56) POLBALOX15TSHRMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
EP-2560969-B1 4-(5-ISOXAZOLYL OR 5-PYRRAZOLYL-1,2,4-OXADIAZOL-3-YL)-MANDELIC ACID AMIDES AS SPHINGOSIN-1-PHOSPHATE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2635573-B1 HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2014-10-01 EP disclosed
US-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8629282-B2 Heterocyclic compounds as S1P1 agonists for the treatment of autoimmune and vascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-20130237566-A1 HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES BRISTOL=MYERS SQUIBB COMPANY 2013-09-12 US disclosed
WO-2012061459-A1 HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-10 WO disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
EP-2382212-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
WO-2011133734-A1 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 WO disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 WO disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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 (6 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 POLB 2724/4885ALOX15 3342/4885TSHR 4380/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 POLB 2408/4885ALOX15 3161/4885TSHR 4691/4885
US-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 POLB 3979/4885ALOX15 1163/4885TSHR 345/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 POLB 2724/4885ALOX15 3342/4885TSHR 4380/4885
US-20130237566-A1 HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES S1PR1, S1PR3, S1PR2 POLB 3307/4885ALOX15 683/4885TSHR 426/4885
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS S1PR4, S1PR3, S1PR1 POLB 3843/4885ALOX15 927/4885TSHR 260/4885

“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.