SCHEMBL3375830

SCHEMBL3375830

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.46
NR3C1 P04150 1/20 0.45
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
TSHR P16473 2/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 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 0.89 CYP2C9 (0.58) PGRCYP1A2CYP2C9ALDH1A1KMT2A
SCHEMBL3377241 0.86 TSHR (0.51) PGRCYP1A2CYP2C9ALDH1A1KMT2A
SCHEMBL3377340 0.79 PGR (0.56) PGRCYP1A2CYP2C9KMT2ANR3C1
SCHEMBL17973441 0.79 PGR (0.54) PGRCYP1A2CYP2C9ALDH1A1KMT2A
SCHEMBL3375889 0.78 PGR (0.55) PGRCYP1A2CYP2C9KMT2ANR3C1
SCHEMBL3377038 0.75 ACLY (0.60) CYP1A2CYP2C9CYP3A4
SCHEMBL3378469 0.74 ACLY (0.51) CYP1A2CYP2C9SLC6A3SMN1; SMN2
SCHEMBL530857 0.74 KMT2A (0.68) ALDH1A1KMT2ANR3C1TSHRKDM4E
SCHEMBL3374335 0.73 KIF11 (0.51) PGRCYP1A2CYP2C9KMT2ANR3C1
SCHEMBL3376915 0.72 PGR (0.90) PGRHPGDSMN1; SMN2

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 PGR 4327/4885CYP1A2 1827/4885CYP2C9 1245/4885

“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.