SCHEMBL16548327

SCHEMBL16548327

CCOc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(C)c(CCC(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.40
▸ PFKFB3 Q16875 2/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.37
▸ SQSTM1 Q13501 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37

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
Hydrochloric Acid SCHEMBL17939959 0.99 PPARG (0.39) PPARGPFKFB3PTGS2LMNATP53
SCHEMBL18215341 0.92 PTGS2 (0.41) PPARGPFKFB3PTGS2LMNATP53
SCHEMBL17945191 0.92 PTGS2 (0.41) PPARGPFKFB3PTGS2LMNATP53
SCHEMBL17945126 0.92 PFKFB3 (0.38) PPARGPFKFB3PTGS2LMNATP53
SCHEMBL16548163 0.91 CASR (0.41) PPARGLMNA
SCHEMBL18215342 0.91 CASR (0.41) PPARGLMNA
Hydrochloric Acid SCHEMBL17939867 0.91 PFKFB3 (0.38) PPARGPFKFB3PTGS2LMNATP53
Hydrochloric Acid SCHEMBL17939924 0.91 PTGS2 (0.41) PPARGPFKFB3PTGS2LMNATP53
Hydrochloric Acid SCHEMBL16540254 0.91 CASR (0.40) PPARGLMNA
SCHEMBL18215373 0.86 PTGS2 (0.40) PTGS2LMNATP53PDE1APDE1B

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 5 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 disclosed
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
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — 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 (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 PPARG 876/4885PFKFB3 3419/4885PTGS2 434/4885

“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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