SCHEMBL17939931

SCHEMBL17939931

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PFKFB3 Q16875 1/20 0.38
▸ ROCK1 Q13464 4/20 0.37
▸ PRKACA P17612 3/20 0.37
▸ GSK3A P49840 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ PRKX P51817 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CASP3 P42574 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
SCHEMBL16548243 1.00 PTGS2 (0.40) PTGS2LMNATP53PFKFB3ROCK1
SCHEMBL16548216 0.91 ROCK1 (0.42) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL16540266 0.91 ROCK1 (0.42) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL16548312 0.91 PFKFB3 (0.40) PTGS2LMNATP53PFKFB3ACACB
SCHEMBL17939948 0.91 PFKFB3 (0.40) PTGS2LMNATP53PFKFB3ACACB
SCHEMBL17945940 0.91 PTGS2 (0.43) PTGS2LMNATP53PFKFB3ROCK1
Hydrochloric Acid SCHEMBL16540171 0.91 PTGS2 (0.43) PTGS2LMNATP53PFKFB3ROCK1
Hydrochloric Acid SCHEMBL17939918 0.91 PTGS2 (0.43) PTGS2LMNATP53PFKFB3ROCK1
SCHEMBL17939908 0.88 MAPK1 (0.36) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL16548244 0.88 MAPK1 (0.36) ALDH1A1MEN1KMT2APOLBRAB9A

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 PTGS2 434/4885LMNA 1996/4885TP53 2561/4885

“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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