SCHEMBL17939841

SCHEMBL17939841

COc1cccc([C@@H](C)NC(C)c2cc(-c3cc(F)cc(CCC(=O)OC(C)C)c3)c3ccccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 9/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PFKFB3 Q16875 1/20 0.37
▸ ROCK1 Q13464 4/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ AKT1 P31749 2/20 0.35
▸ PRKG1 Q13976 2/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ IRAK1 P51617 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
SCHEMBL16548150 1.00 CASR (0.40) CASRMEN1KMT2APFKFB3ROCK1
SCHEMBL16548177 0.94 CASR (0.38) CASRMEN1KMT2APFKFB3ROCK1
SCHEMBL17939866 0.94 CASR (0.38) CASRMEN1KMT2APFKFB3ROCK1
SCHEMBL17939844 0.94 PPARG (0.37) CASRMEN1KMT2AMTNR1AMTNR1B
SCHEMBL16548134 0.94 PPARG (0.37) CASRMEN1KMT2AMTNR1AMTNR1B
SCHEMBL16548191 0.93 PFKFB3 (0.38) CASRMEN1KMT2APFKFB3ROCK1
SCHEMBL17939815 0.93 PFKFB3 (0.36) CASRPFKFB3ROCK1PRKACAPRKG1
SCHEMBL16548229 0.93 PFKFB3 (0.36) CASRPFKFB3ROCK1PRKACAPRKG1
SCHEMBL17939886 0.93 PFKFB3 (0.38) CASRMEN1KMT2APFKFB3ROCK1
SCHEMBL17945892 0.91 CASR (0.41) CASRMEN1KMT2APFKFB3ROCK1

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-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US claimed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US claimed
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
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 1/4885MEN1 2646/4885KMT2A 4618/4885

“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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