SCHEMBL1789335

SCHEMBL1789335

COc1ccc(-c2ccccc2C(=O)NC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.68
KDM4E B2RXH2 8/20 0.65
RAB9A P51151 7/20 0.65
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
ALDH1A1 P00352 5/20 0.65
NPSR1 Q6W5P4 3/20 0.65
TP53 P04637 1/20 0.65
HPGD P15428 1/20 0.65
HSD17B10 Q99714 1/20 0.65
RXFP1 Q9HBX9 6/20 0.65
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 2/20 0.56
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL1788113 0.91 GHSR (0.75) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1786674 0.89 GHSR (0.70) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1789586 0.87 KDM4E (0.59) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1786490 0.84 GHSR (0.73) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1787635 0.82 GHSR (0.80) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1785453 0.82 RAB9A (0.84) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1787148 0.82 GHSR (0.73) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1785626 0.81 GHSR (0.78) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1785629 0.81 GHSR (0.78) GHSRKDM4ERAB9AKMT2AMEN1
SCHEMBL1789562 0.81 GHSR (1.00) GHSRKDM4ERAB9AKMT2AMEN1

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 GHSR 2/4885KDM4E 1188/4885RAB9A 2138/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R GHSR 30/4885KDM4E 3215/4885RAB9A 1390/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R GHSR 59/4885KDM4E 3524/4885RAB9A 2527/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R GHSR 2/4885KDM4E 1188/4885RAB9A 2138/4885

“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.