SCHEMBL1738732

SCHEMBL1738732

COc1ccccc1[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.45
CTSK P43235 3/20 0.45
CACNA1B Q00975 1/20 0.44
TACR1 P25103 1/20 0.44
DRD2 P14416 5/20 0.44
ATM Q13315 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14044920 1.00 CTSS (0.45) CTSSCTSKCACNA1BTACR1DRD2
SCHEMBL29582289 1.00 CTSS (0.45) CTSSCTSKCACNA1BTACR1DRD2
SCHEMBL10217306 0.89 CTSK (0.46) CTSSCTSKCACNA1BTACR1DRD2
SCHEMBL14044925 0.89 CTSK (0.46) CTSSCTSKCACNA1BTACR1DRD2
SCHEMBL8622009 0.89 CTSS (0.39) CTSSCTSKCACNA1BTACR1ATM
SCHEMBL22805380 0.88 CTSS (0.44) CTSSCTSKCACNA1BTACR1DRD2
SCHEMBL28080125 0.87 ALOX12 (0.40) CTSSCTSKATMCTSLCTSB
SCHEMBL3447780 0.86 CACNA1B (0.47) CTSSCTSKCACNA1BTACR1DRD2
SCHEMBL27603568 0.86 CTSA (0.51) CACNA1BPOLB
SCHEMBL4883355 0.86 CTSA (0.51) CACNA1BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390250-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK CHEMICALS CO LTD (KR) 2015-08-12 EP disclosed
EP-2390250-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK CHEMICALS CO LTD (KR) 2015-08-12 EP disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
EP-2390250-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Sk Chemicals Co., Ltd. (KR) 2011-11-30 EP disclosed
EP-2390250-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Sk Chemicals Co., Ltd. (KR) 2011-11-30 EP disclosed
WO-2011062437-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 에스케이케미칼주식회사 (KR) 2011-05-26 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 (1 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR CTSS 2349/4885CTSK 1275/4885CACNA1B 1232/4885

“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.