SCHEMBL4638281

SCHEMBL4638281

Cc1cc(C(=O)O)c(C)n1-c1ccccc1-c1ccc2c(c1)OCCCO2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 16/20 0.53
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL2439553 0.87 FABP4 (0.53) NOTUMALDH1A1
SCHEMBL2031100 0.80 RAB9A (0.48) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL4638853 0.77 NOTUM (0.67) NOTUMALDH1A1HPGDNPSR1
SCHEMBL4898752 0.77 NOTUM (0.66) NOTUMALDH1A1HPGD
SCHEMBL4638812 0.76 NOTUM (0.60) NOTUMALDH1A1
SCHEMBL4639365 0.76 NOTUM (0.60) NOTUMALDH1A1
SCHEMBL4894549 0.76 ALDH1A1 (0.58) NOTUMALDH1A1NPC1RAB9AKDM4E
SCHEMBL2023443 0.75 NOTUM (0.64) NOTUMALDH1A1HPGD
SCHEMBL4638594 0.75 NOTUM (0.59) NOTUMALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2438786 0.75 MYC (0.55) NOTUMALDH1A1KDM4EHPGDSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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 (2 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NOTUM 1646/4885ALDH1A1 2251/4885NPC1 1687/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NOTUM 1646/4885ALDH1A1 2251/4885NPC1 1687/4885

“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.