SCHEMBL3344800

SCHEMBL3344800

Cc1ccc(-c2c(C)nc(-c3cccc(F)c3OCc3ccccc3)n(CCc3ccccc3)c2=O)s1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.74
NR1I2 O75469 6/20 0.74
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL3344719 0.92 CASR (0.63) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL4150118 0.92 CASR (0.63) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3343271 0.91 CASR (0.79) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3346123 0.91 CASR (0.66) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3418642 0.90 CASR (0.69) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL4156940 0.89 CASR (0.76) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3348571 0.89 CASR (0.65) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3387584 0.89 CASR (0.61) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL4153069 0.89 CASR (0.62) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL4155635 0.89 CASR (0.65) CASRNR1I2ALDH1A1LMNACYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO disclosed
WO-2010039922-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB CASR 12/4885NR1I2 3373/4885ALDH1A1 4674/4885

“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.