SCHEMBL1787101

SCHEMBL1787101

O=C(NC(=O)c1ccccc1Cl)Nc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2s1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 18/20 0.77
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL1789562 0.87 GHSR (1.00) GHSRRAB9ANPC1KDM4EMEN1
SCHEMBL1789766 0.87 GHSR (0.81) GHSRRAB9ANPC1MEN1TP53
SCHEMBL1786665 0.85 GHSR (0.82) GHSRRAB9ANPC1KDM4EMEN1
SCHEMBL1789574 0.85 GHSR (0.80) GHSRRAB9ANPC1KDM4EMEN1
SCHEMBL1787540 0.85 GHSR (0.77) GHSRRAB9ANPC1KDM4EMEN1
SCHEMBL10889738 0.84 GHSR (0.68) GHSR
SCHEMBL1785989 0.84 GHSR (0.82) GHSR
SCHEMBL1786346 0.84 GHSR (0.82) GHSR
SCHEMBL1785608 0.83 GHSR (0.74) GHSR
SCHEMBL1788211 0.83 GHSR (0.75) GHSRRAB9ANPC1TP53

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 8 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
CN-101883762-A Benzothiazoles as modulators of growth hormone releasing hormone receptors ASTRAZENECA AB 2010-11-10 CN 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 2/4885RAB9A 2138/4885NPC1 2847/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R GHSR 30/4885RAB9A 1390/4885NPC1 486/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R GHSR 59/4885RAB9A 2527/4885NPC1 635/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R GHSR 2/4885RAB9A 2138/4885NPC1 2847/4885

“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.