SCHEMBL17670503

SCHEMBL17670503

Cc1cc(C(=O)O)cc(CNCc2nnc(C)n2Cc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.43
▸ CCR2 P41597 8/20 0.39
▸ PIK3C2B O00750 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ TBXA2R P21731 1/20 0.38
▸ MTHFD2 P13995 1/20 0.38
▸ RHEB Q15382 1/20 0.38

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
SCHEMBL17544846 0.88 MMP13 (0.42) PPARGAGTR1AGTR2
SCHEMBL17544819 0.80 PDE6D (0.40) PPARGAGTR1AGTR2
SCHEMBL17544535 0.80 PDE6D (0.42) PPARGAGTR1AGTR2
SCHEMBL17544934 0.79 TP53 (0.41) —
SCHEMBL17680453 0.79 TP53 (0.39) —
SCHEMBL17670366 0.77 MMP13 (0.40) AGTR1AGTR2
SCHEMBL17680457 0.77 MMP13 (0.40) AGTR1AGTR2TBXA2R
SCHEMBL17670499 0.77 MMP13 (0.40) AGTR1AGTR2
SCHEMBL17670353 0.77 MMP13 (0.40) AGTR1AGTR2TBXA2R
SCHEMBL17683831 0.77 MMP13 (0.40) PPARGAGTR1AGTR2

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
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 PPARG 2122/4885CCR2 3833/4885PIK3C2B 2508/4885

“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.

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