SCHEMBL480144

SCHEMBL480144

COc1c(CBr)ccc(C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ IMPDH2 P12268 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35

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
SCHEMBL27552704 0.81 TDP1 (0.41) TDP1HSD17B10MAPTIMPDH2SMN1; SMN2
SCHEMBL2635391 0.78 MRGPRX4 (0.52) TDP1HSD17B10MAPTMAPK1ALDH1A1
SCHEMBL28126408 0.77 CYP1A2 (0.37) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL8921714 0.77 CYP1A2 (0.37) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL979782 0.77 HSD17B10 (0.51) TDP1HSD17B10MAPTIMPDH2SMN1; SMN2
SCHEMBL11218412 0.77 TDP1 (0.50) TDP1HSD17B10MAPTSMN1; SMN2LMNA
SCHEMBL20768513 0.76 MRGPRX4 (0.37) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL19331448 0.76 MYC (0.36) ALDH1A1KDM4ETSHRHTT
SCHEMBL28349639 0.76 TDP1 (0.46) TDP1HSD17B10MAPTSMN1; SMN2LMNA
SCHEMBL30466426 0.75 MAPT (0.68) TDP1HSD17B10MAPTSMN1; SMN2LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 — — US disclosed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 — — EP disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 — — US disclosed
US-8148525-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-04-03 — — US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 — — US disclosed
US-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2012-02-23 — — US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 — — EP disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 — — US disclosed
EP-1471915-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2011-09-14 — — EP disclosed
WO-2011100838-A1 DERIVATIVES OF 1-PHENYL-1,5-DIHYDRO-BENZO[B] [1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 — — WO disclosed
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-16 — — US disclosed
US-7906644-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-03-15 — — US disclosed
EP-2281563-A1 2,4-Pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2011-02-09 — — EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 — — US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 — — WO disclosed
US-20100197918-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-05 — — US disclosed
US-4894386-A ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1990-01-16 — — 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 (5 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-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TDP1 1115/4885HSD17B10 4781/4885MAPT 4104/4885
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 TDP1 1284/4885HSD17B10 223/4885MAPT 2644/4885
US-20100197918-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TDP1 1115/4885HSD17B10 4781/4885MAPT 4104/4885
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF CHUK, BRSK2, IKBKE TDP1 586/4885HSD17B10 2344/4885MAPT 4565/4885
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses FCER2, FCGR1A, FCGR2A TDP1 1115/4885HSD17B10 4781/4885MAPT 4104/4885

“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.

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