SCHEMBL3377241

SCHEMBL3377241

COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)ccc1NS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
PGR P06401 1/20 0.50
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
MCL1 Q07820 1/20 0.45
KMT2A Q03164 2/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
LMNA P02545 1/20 0.44
MMP1 P03956 1/20 0.44
MPO P05164 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL3377563 0.90 CYP2C9 (0.58) TSHRPGRKDM4ESMN1; SMN2HSD17B10
SCHEMBL3378469 0.87 ACLY (0.51) SMN1; SMN2CYP2C9CYP1A2SLC6A3ACLY
SCHEMBL3375830 0.86 PGR (0.49) TSHRPGRKDM4ESMN1; SMN2HSD17B10
SCHEMBL3377340 0.83 PGR (0.56) TSHRPGRKDM4ESMN1; SMN2HSD17B10
SCHEMBL17530342 0.80 KDM4E (0.50) TSHRKDM4ESMN1; SMN2HSD17B10CYP2C9
SCHEMBL3375889 0.79 PGR (0.55) TSHRPGRKDM4ESMN1; SMN2HSD17B10
SCHEMBL3378756 0.79 KIF11 (0.54) TSHRKDM4ESMN1; SMN2HSD17B10ACLY
SCHEMBL23111303 0.78 MEN1 (0.51) TSHRKDM4ESMN1; SMN2HSD17B10CYP2C9
SCHEMBL3377038 0.76 ACLY (0.60) CYP2C9CYP1A2CYP3A4CYP2C19ACLY
SCHEMBL17973441 0.75 PGR (0.54) TSHRPGRKDM4ESMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US claimed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO disclosed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 TSHR 3437/4885PGR 4327/4885KDM4E 2431/4885

“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.