SCHEMBL2032045

SCHEMBL2032045

Cc1cc(C(=O)O)c(C)n1-c1ccccc1C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.70
ALDH1A1 P00352 1/20 0.62
MYC P01106 5/20 0.58
NR4A1 P22736 1/20 0.57

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
SCHEMBL17172477 0.91 NOTUM (0.79) NOTUMALDH1A1MYCNR4A1
SCHEMBL4639540 0.84 NOTUM (0.68) NOTUMALDH1A1MYCNR4A1
SCHEMBL20473024 0.83 NOTUM (0.59) NOTUMALDH1A1MYC
SCHEMBL4638669 0.82 NOTUM (0.67) NOTUMALDH1A1MYCNR4A1
SCHEMBL4638317 0.81 NOTUM (0.54) NOTUMALDH1A1MYC
SCHEMBL20473019 0.80 NOTUM (0.65) NOTUMALDH1A1MYC
SCHEMBL2029335 0.80 NOTUM (0.72) NOTUMALDH1A1
SCHEMBL20473017 0.80 NOTUM (0.54) NOTUMALDH1A1MYC
SCHEMBL4639354 0.79 NOTUM (0.62) NOTUMALDH1A1MYCNR4A1
SCHEMBL17172437 0.79 MYC (0.70) ALDH1A1MYCNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
CN-101006052-A Pyrrole derivatives as pharmaceutical agents EXELIXIS INC (US) 2007-07-25 CN claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 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
CN-101006052-A Pyrrole derivatives as pharmaceutical agents EXELIXIS INC (US) 2007-07-25 CN 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 (3 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 2251/4885MYC 4455/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NOTUM 1646/4885ALDH1A1 2251/4885MYC 4455/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 NOTUM 1054/4885ALDH1A1 1665/4885MYC 1427/4885

“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.