SCHEMBL5212261

SCHEMBL5212261

COc1cc2c(Oc3ccc([N+](=O)[O-])cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SRD5A2 P31213 1/20 0.40
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
SCD O00767 2/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL5214530 0.85 EDNRA (0.42) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL5215532 0.85 EDNRA (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4762793 0.84 ESR1 (0.43) PDGFRAKDRSMN1; SMN2L3MBTL1RAB9A
SCHEMBL5215280 0.84 ESR1 (0.43) PDGFRAKDRKDM4EALDH1A1MAPT
SCHEMBL4770247 0.84 ESR1 (0.38) MEN1KMT2AKDRAKR1C3AKR1C2
SCHEMBL5214010 0.84 PTGS2 (0.43) AKR1C3KDM4EALDH1A1MAPT
SCHEMBL5766360 0.84 MAP3K8 (0.42) L3MBTL1
SCHEMBL4771921 0.83 FGFR2 (0.41) AKR1C3AKR1C2ALDH1A1MAPTMAPK1
SCHEMBL4771697 0.83 ICAM1 (0.40) MEN1KMT2AHTTMAPK1L3MBTL1
SCHEMBL5211846 0.82 EDNRA (0.41) MEN1KMT2AAKR1C3AKR1C2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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 (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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 MEN1 4169/4885KMT2A 2814/4885PDGFRA 1039/4885

“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.