SCHEMBL17939969

SCHEMBL17939969

Cc1ccc(-c2cc(CNC(C)c3cccc(OC(F)F)c3)cc3ccccc23)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 11/20 0.44
▸ LDHA P00338 1/20 0.38
▸ LDHB P07195 1/20 0.38
▸ PPARG P37231 4/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL17945938 0.91 CASR (0.54) CASRPPARG
SCHEMBL17939825 0.91 CASR (0.54) CASRPPARG
SCHEMBL16540311 0.91 CASR (0.42) CASRLDHALDHBPPARG
SCHEMBL17945546 0.91 CASR (0.42) CASRLDHALDHBPPARG
Hydrochloric Acid SCHEMBL17939871 0.91 CASR (0.53) CASRPPARG
Hydrochloric Acid SCHEMBL17939869 0.91 CASR (0.53) CASRPPARG
Hydrochloric Acid SCHEMBL17939890 0.90 CASR (0.41) CASRLDHALDHBPPARG
Hydrochloric Acid SCHEMBL17939888 0.90 CASR (0.41) CASRLDHALDHBPPARG
SCHEMBL16540583 0.90 CASR (0.44) CASRLDHALDHBPPARG
SCHEMBL16548315 0.90 CASR (0.44) CASRLDHALDHBPPARG

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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — 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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 CASR 1/4885LDHA 4188/4885LDHB 4467/4885

“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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