SCHEMBL16548312

SCHEMBL16548312

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ PTGS2 P35354 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
SCHEMBL17939948 1.00 PFKFB3 (0.40) PFKFB3LMNATP53PPARGACACB
SCHEMBL17939931 0.91 PTGS2 (0.40) PFKFB3LMNATP53PPARGACACB
SCHEMBL16548243 0.91 PTGS2 (0.40) PFKFB3LMNATP53PPARGACACB
SCHEMBL16548112 0.91 LMNA (0.42) PFKFB3LMNATP53PPARGACACB
SCHEMBL16548156 0.91 ROCK1 (0.42) PFKFB3
SCHEMBL17939796 0.91 ROCK1 (0.42) PFKFB3
Hydrochloric Acid SCHEMBL17939939 0.90 LMNA (0.42) PFKFB3LMNATP53PPARGACACB
Hydrochloric Acid SCHEMBL17939819 0.90 LMNA (0.42) PFKFB3LMNATP53PPARGACACB
SCHEMBL17939973 0.87 ROCK1 (0.40) PFKFB3LMNAMEN1KMT2A
SCHEMBL16548102 0.87 ROCK1 (0.40) PFKFB3LMNAMEN1KMT2A

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 PFKFB3 3419/4885LMNA 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.

Send feedback