SCHEMBL17683831

SCHEMBL17683831

Cc1cc(C(=O)O)cc(CNCc2nnc(C(C)C)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.40
▸ GNRHR P30968 1/20 0.38
▸ AGTR1 P30556 2/20 0.37
▸ AGTR2 P50052 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ PDE6D O43924 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ S1PR3 Q99500 1/20 0.34

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
SCHEMBL17544553 0.94 MMP13 (0.40) MMP13GNRHRAGTR1AGTR2CES2
SCHEMBL17680451 0.91 GNRHR (0.38) MMP13GNRHRAGTR1AGTR2PDE6D
SCHEMBL17544846 0.89 MMP13 (0.42) MMP13AGTR1AGTR2CES2PDE6D
SCHEMBL17544535 0.88 PDE6D (0.42) MMP13AGTR1AGTR2CES2PDE6D
SCHEMBL17670499 0.85 MMP13 (0.40) MMP13AGTR1AGTR2CES2PDE6D
SCHEMBL17670353 0.85 MMP13 (0.40) MMP13AGTR1AGTR2CES2TP53
SCHEMBL17544971 0.85 ALDH1A1 (0.44) MMP13GNRHRAGTR1AGTR2CES2
SCHEMBL17670366 0.85 MMP13 (0.40) MMP13AGTR1AGTR2PDE6D
SCHEMBL17549916 0.85 MMP13 (0.39) MMP13GNRHRAGTR1AGTR2CES2
SCHEMBL17680457 0.85 MMP13 (0.40) MMP13AGTR1AGTR2CES2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MMP13 397/4885GNRHR 2787/4885AGTR1 2794/4885

“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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