SCHEMBL17945191

SCHEMBL17945191

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.41
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PFKFB3 Q16875 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PRKX P51817 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ SQSTM1 Q13501 1/20 0.36

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
SCHEMBL18215341 1.00 PTGS2 (0.41) PTGS2FFAR1FFAR4LMNATP53
Hydrochloric Acid SCHEMBL17939924 0.99 PTGS2 (0.41) PTGS2FFAR1FFAR4LMNATP53
SCHEMBL17945975 0.94 PTGS2 (0.40) PTGS2FFAR1FFAR4LMNATP53
SCHEMBL18215373 0.94 PTGS2 (0.40) PTGS2FFAR1FFAR4LMNATP53
Hydrochloric Acid SCHEMBL17939874 0.94 PTGS2 (0.39) PTGS2FFAR1FFAR4LMNATP53
SCHEMBL17939832 0.92 PTGS2 (0.38) PTGS2LMNATP53PDE1APDE1B
SCHEMBL17945543 0.92 PTGS2 (0.38) PTGS2LMNATP53PDE1APDE1B
SCHEMBL16548158 0.92 CASR (0.41) FFAR1PRKACAGSK3AGSK3BPRKX
SCHEMBL16548327 0.92 PPARG (0.40) PTGS2FFAR1FFAR4LMNATP53
Hydrochloric Acid SCHEMBL16539996 0.91 CASR (0.41) FFAR1PRKACAGSK3AGSK3BPRKX

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 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

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 PTGS2 434/4885FFAR1 110/4885FFAR4 272/4885

“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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