SCHEMBL3781573

SCHEMBL3781573

CC(C)(C)OC(=O)Nc1ccc(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.58
KDM4E B2RXH2 2/20 0.53
PKM P14618 2/20 0.53
DVL1 O14640 1/20 0.52
PPARA Q07869 2/20 0.51
HNF4A P41235 1/20 0.50
PPARG P37231 2/20 0.48
CYP17A1 P05093 1/20 0.46
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
BRD4 O60885 1/20 0.43
PTPN1 P18031 2/20 0.42
CFD P00746 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL10489814 0.83 LTC4S (0.59) LTC4SKDM4EPKMDVL1HNF4A
SCHEMBL7381558 0.82 CTSV (0.52) KDM4EPKMDVL1ALDH1A1
SCHEMBL7396740 0.81 MGLL (0.52) ALDH1A1RXFP1PTPN1
SCHEMBL25430887 0.80 PTPN1 (0.61) KDM4EHNF4ACYP17A1RXFP1PTPN1
SCHEMBL1767849 0.79 KMT2A (0.52) KDM4EALDH1A1RXFP1CA12CA1
SCHEMBL10249437 0.79 CYP17A1 (0.68) PPARAPPARGCYP17A1CA12CA1
SCHEMBL31619048 0.79 KMT2A (0.52) KDM4EALDH1A1RXFP1CA12CA1
SCHEMBL27852761 0.79 MEN1 (0.56) PPARAPPARGALDH1A1CA12CA1
SCHEMBL222446 0.79 RXFP1 (0.55) KDM4EPKMRXFP1CA12
SCHEMBL29702265 0.79 RXFP1 (0.55) KDM4EPKMRXFP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN disclosed
CN-102482221-A Bicyclic and tricyclic compounds as KATII inhibitors PFIZER 2012-05-30 CN disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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 (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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B LTC4S 4114/4885KDM4E 1109/4885PKM 2928/4885

“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.