SCHEMBL3377563

SCHEMBL3377563

CS(=O)(=O)Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.58
CYP1A2 P05177 2/20 0.58
MCL1 Q07820 2/20 0.53
PGR P06401 1/20 0.52
ACLY P53396 1/20 0.52
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 2/20 0.50
PTPN1 P18031 1/20 0.48
CCR2 P41597 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
LMNA P02545 1/20 0.46
MMP1 P03956 1/20 0.46
MPO P05164 1/20 0.46
GLA P06280 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPT P10636 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL3377241 0.90 TSHR (0.51) CYP2C9CYP1A2MCL1PGRACLY
SCHEMBL3375830 0.89 PGR (0.49) CYP2C9CYP1A2MCL1PGRCYP3A4
SCHEMBL3377038 0.85 ACLY (0.60) CYP2C9CYP1A2ACLYCYP2C19CYP3A4
SCHEMBL3377340 0.82 PGR (0.56) CYP2C9CYP1A2MCL1PGRCYP2C19
SCHEMBL3375889 0.81 PGR (0.55) CYP2C9CYP1A2MCL1PGRACLY
SCHEMBL17530344 0.80 CYP2C9 (0.56) CYP2C9CYP1A2MCL1ACLYCYP2C19
SCHEMBL1835415 0.78 KMT2A (0.66) MCL1ACLYCCR2KMT2AKDM4E
SCHEMBL220258 0.77 MEN1 (0.56) CYP2C9CYP1A2KMT2AMEN1LMNA
SCHEMBL3378469 0.77 ACLY (0.51) CYP2C9CYP1A2ACLYSLC6A3SMN1; SMN2
SCHEMBL3375973 0.77 KDM1A (0.67) MCL1ACLY

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 10 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
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 CYP2C9 1245/4885CYP1A2 1827/4885MCL1 3270/4885

“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.