SCHEMBL1787080

SCHEMBL1787080

CN1CCC(S(=O)(=O)c2ccc3nc(N)sc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 2/20 0.56
VDR P11473 1/20 0.56
GFER P55789 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
GHSR Q92847 7/20 0.53
DRD2 P14416 1/20 0.48
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP2D6 P10635 1/20 0.47
HCAR1 Q9BXC0 4/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1788004 0.85 LMNA (0.53) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL11589505 0.85 ALDH1A1 (0.62) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL1783952 0.82 ALDH1A1 (0.59) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL1786188 0.81 PIK3CA (0.52) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL1789550 0.81 LMNA (0.51) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL1786763 0.81 LMNA (0.51) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL1787659 0.81 LMNA (0.51) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL3655191 0.78 ALDH1A1 (0.51) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL1785493 0.77 PIK3CA (0.49) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL1788127 0.77 PIK3CA (0.49) ALDH1A1HPGDLMNAHSD17B10KDM4E

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 ALDH1A1 2084/4885HPGD 4057/4885LMNA 4721/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R ALDH1A1 650/4885HPGD 4047/4885LMNA 4327/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R ALDH1A1 918/4885HPGD 3736/4885LMNA 4113/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ALDH1A1 2084/4885HPGD 4057/4885LMNA 4721/4885

“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.