SCHEMBL9984694

SCHEMBL9984694

CC1(C)Cc2sc(C(=O)O)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GPR35 Q9HC97 3/20 0.35
BCL2L1 Q07817 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
NOTUM Q6P988 1/20 0.33
GLA P06280 2/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL9984897 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDGLA
SCHEMBL13363477 0.75 CYP2C19 (0.39) ALDH1A1KMT2AMEN1LMNAHPGD
SCHEMBL1393026 0.70 DAO (0.53) DAOALDH1A1KDM4EKMT2AMAPT
SCHEMBL9985813 0.68 DAO (0.50) DAOALDH1A1KDM4EKMT2AMAPT
SCHEMBL28348917 0.68 ALDH1A1 (0.36) DAOALDH1A1KDM4EKMT2AMAPT
SCHEMBL31474025 0.67 DAO (0.49) DAOALDH1A1KDM4EKMT2AMAPT
SCHEMBL2436103 0.66 DAO (0.61) DAOALDH1A1KDM4EKMT2AMAPT
SCHEMBL1310113 0.62 GPR35 (0.68) DAOALDH1A1KDM4EKMT2AMAPT
SCHEMBL20597495 0.61 NOTUM (0.55) ALDH1A1KDM4ELMNAHPGDNOTUM
SCHEMBL8256151 0.61 GPR35 (0.44) DAOALDH1A1KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 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 (1 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK DAO 2972/4885ALDH1A1 3488/4885KDM4E 1767/4885

“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.