SCHEMBL1784319

SCHEMBL1784319

CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)Oc4ccc(F)cc4)sc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.58
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
HCAR1 Q9BXC0 6/20 0.54
KMT2A Q03164 2/20 0.54
CHRNA4 P43681 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TP53 P04637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HCAR2 Q8TDS4 1/20 0.49
POLB P06746 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1783677 0.82 GHSR (0.60) GHSRALDH1A1GAAHCAR1
SCHEMBL1786861 0.82 ALDH1A1 (0.80) ALDH1A1GAAKMT2ATP53RXFP1
SCHEMBL1786607 0.73 GHSR (1.00) GHSRHCAR1CHRNA4SLC6A3HCAR2
SCHEMBL1787080 0.72 ALDH1A1 (0.57) GHSRALDH1A1HCAR1KMT2ACHRNA4
SCHEMBL4402171 0.72 ENPP3 (0.56) ALDH1A1KMT2APOLBMEN1NPC1
SCHEMBL14256838 0.71 KMT2A (0.78) ALDH1A1GAAKMT2ARXFP1POLB
SCHEMBL1787550 0.71 HCAR1 (1.00) GHSRHCAR1CHRNA4SLC6A3HCAR2
SCHEMBL4404654 0.70 ENPP3 (0.62) ALDH1A1KMT2ATP53RXFP1POLB
SCHEMBL4394510 0.70 ENPP3 (0.60) ALDH1A1KMT2ATP53RXFP1POLB
SCHEMBL2743007 0.70 KMT2A (0.72) ALDH1A1GAAKMT2APOLBMEN1

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
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 2/4885ALDH1A1 2084/4885GAA 1879/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R GHSR 30/4885ALDH1A1 650/4885GAA 402/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R GHSR 59/4885ALDH1A1 918/4885GAA 549/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R GHSR 2/4885ALDH1A1 2084/4885GAA 1879/4885

“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.