SCHEMBL4896475

SCHEMBL4896475

CCOc1ccc(-c2ccccc2-n2c(C)cc(C(=O)O)c2C)cc1S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.47
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
PTPN11 Q06124 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
SCHEMBL2030036 0.85 RXFP1 (0.45) MAPTALDH1A1MAPK1HPGDRAB9A
SCHEMBL4888676 0.82 NOTUM (0.49) NOTUMMAPTALDH1A1MAPK1HPGD
SCHEMBL4640249 0.79 NOTUM (0.67) NOTUMMAPTALDH1A1
SCHEMBL4638273 0.79 NOTUM (0.58) NOTUMALDH1A1
SCHEMBL4783657 0.79 NOTUM (0.60) NOTUMALDH1A1
SCHEMBL4894549 0.78 ALDH1A1 (0.58) NOTUMMAPTALDH1A1MAPK1HPGD
SCHEMBL4638618 0.77 NOTUM (0.55) NOTUMMAPTALDH1A1MAPK1NPC1
SCHEMBL4638601 0.75 NOTUM (0.53) NOTUMALDH1A1
SCHEMBL4639058 0.74 NOTUM (0.47) NOTUMMAPTALDH1A1
SCHEMBL4638812 0.74 NOTUM (0.60) NOTUMALDH1A1

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 7 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-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 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 1646/4885MAPT 2014/4885ALDH1A1 2251/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NOTUM 1646/4885MAPT 2014/4885ALDH1A1 2251/4885

“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.