SCHEMBL2330110

SCHEMBL2330110

COCOc1ccc(F)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
PPARA Q07869 1/20 0.43
KAT6A Q92794 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6769847 0.87 MAOB (0.51) MRGPRX4
SCHEMBL5838811 0.85 ALDH1A1 (0.56) SMN1; SMN2NPC1POLBAPEX1RAB9A
Hydrochloric Acid SCHEMBL18861064 0.84 MCL1 (0.48) MCL1PPARAKAT6A
SCHEMBL18311270 0.83 KAT6A (0.56) MCL1KAT6ASMN1; SMN2L3MBTL1
SCHEMBL12861136 0.82 POLB (0.45) MCL1MRGPRX4SMN1; SMN2NPC1POLB
SCHEMBL5575050 0.82 KDM4C (0.50) MCL1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL395640 0.81 SMN1; SMN2 (0.59) SMN1; SMN2POLB
SCHEMBL9348732 0.81 KDM4E (0.49) MCL1SMN1; SMN2NPC1POLBAPEX1
SCHEMBL20430157 0.81 HSD17B10 (0.45) SMN1; SMN2NPC1POLBAPEX1RAB9A
Hydrochloric Acid SCHEMBL18861018 0.79 MCL1 (0.62) MCL1KAT6A

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
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US disclosed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US disclosed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 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 (2 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-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A MCL1 4735/4885PPARA 2141/4885KAT6A 2017/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A MCL1 4735/4885PPARA 2141/4885KAT6A 2017/4885

“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.