SCHEMBL4142963

SCHEMBL4142963

Cc1nc(-c2ccccc2OCc2ccccc2)n(CCc2ccccc2)c(=O)c1-c1ccc(C(=O)O)s1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.57
NR1I2 O75469 5/20 0.57
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR4A2 P43354 1/20 0.43
PTGER1 P34995 2/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL4138510 0.89 CASR (0.67) CASRNR1I2ALDH1A1PTGER1PTGER4
SCHEMBL4142850 0.88 NR1I2 (0.70) CASRNR1I2ALDH1A1PTGER1PTGER4
SCHEMBL4143278 0.84 CASR (0.54) CASRNR1I2ALDH1A1PTGER1PTGER4
SCHEMBL4138096 0.84 CASR (0.69) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL4147810 0.83 CASR (0.56) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL28148354 0.82 CASR (0.55) CASRNR1I2ALDH1A1PTGER1LMNA
SCHEMBL4144136 0.82 CASR (0.51) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL4143983 0.81 CASR (0.52) CASRNR1I2ALDH1A1PTGER1PTGER4
SCHEMBL4138553 0.81 CASR (0.52) CASRNR1I2ALDH1A1PTGER1PTGER4
SCHEMBL4135738 0.81 CASR (0.49) CASRNR1I2ALDH1A1PTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.