SCHEMBL3802206

SCHEMBL3802206

CCOC(=O)C(C)(C)Cc1cc(F)c(F)c(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MRGPRX4 Q96LA9 6/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ APP P05067 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3800355 0.83 CNR2 (0.44) MMP8MRGPRX4NPC1BRD4PTGER1
SCHEMBL20483556 0.81 APP (0.52) ALDH1A1POLBMAPTTHRBNPC1
SCHEMBL3798817 0.79 FFAR4 (0.48) MRGPRX4APPLMNAFFAR4KDM4E
SCHEMBL1492859 0.77 MMP8 (0.65) MMP8ALDH1A1RECQLPOLBMAPT
SCHEMBL15669148 0.77 L3MBTL1 (0.56) MMP8ALDH1A1RECQLMAPTLMNA
SCHEMBL13221551 0.75 ALDH1A1 (0.42) MMP8ALDH1A1RECQLPOLBMAPT
SCHEMBL3799950 0.75 RXRB (0.49) MRGPRX4NPC1PTGER1S1PR5FFAR4
SCHEMBL2301928 0.75 CNR2 (0.40) MMP8ALDH1A1RECQL
SCHEMBL2305263 0.72 CNR2 (0.40) MMP8ALDH1A1RECQLKDM4E
SCHEMBL26096078 0.72 MAPT (0.51) MRGPRX4MAPTNPC1PTGER1FFAR4

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-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 — — US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 — — US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 — — EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB MMP8 1080/4885ALDH1A1 3794/4885RECQL 2212/4885

“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