SCHEMBL1789586

SCHEMBL1789586

COc1ccc(C(=O)NC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(-c2ccc(F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
RXFP1 Q9HBX9 7/20 0.59
ALDH1A1 P00352 4/20 0.59
NPSR1 Q6W5P4 3/20 0.59
GHSR Q92847 5/20 0.58
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
RAB9A P51151 5/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 4/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SCD O00767 1/20 0.55
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL1789335 0.87 GHSR (0.68) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1786674 0.87 GHSR (0.70) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1789151 0.81 GHSR (0.77) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1788113 0.80 GHSR (0.75) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1787796 0.79 GHSR (0.77) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1786490 0.78 GHSR (0.73) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1785629 0.78 GHSR (0.78) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1786595 0.77 GHSR (0.85) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1787148 0.76 GHSR (0.73) KDM4ERXFP1ALDH1A1NPSR1GHSR
SCHEMBL1788388 0.76 GHSR (0.76) KDM4ERXFP1ALDH1A1NPSR1GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP claimed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US claimed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP claimed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US claimed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO claimed
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R KDM4E 1188/4885RXFP1 37/4885ALDH1A1 2084/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R KDM4E 3215/4885RXFP1 29/4885ALDH1A1 650/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R KDM4E 3524/4885RXFP1 72/4885ALDH1A1 918/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R KDM4E 1188/4885RXFP1 37/4885ALDH1A1 2084/4885

“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.