SCHEMBL9962291

SCHEMBL9962291

CNCC(O)CC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.41
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL22675503 1.00 KISS1R (0.41) KISS1RTSHRHSD17B10MGAMGAA
SCHEMBL28243 0.83 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL15037662 0.80 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL18848872 0.78 TSHR (0.48) KISS1RTSHRHSD17B10MGAMGAA
SCHEMBL12460192 0.78 TSHR (0.48) KISS1RTSHRHSD17B10MGAMGAA
SCHEMBL24109564 0.77 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL19821995 0.77 KISS1R (0.39) KISS1RALOX15CA12CA9CA1
SCHEMBL1869403 0.76
SCHEMBL21371252 0.76
SCHEMBL1541120 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020011246-A1 BENZENE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 广州丹康医药生物有限公司 2020-01-16 WO disclosed
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
EP-3068784-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-20 EP disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US 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-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK KISS1R 4600/4885TSHR 3612/4885HSD17B10 4027/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK KISS1R 4600/4885TSHR 3612/4885HSD17B10 4027/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK KISS1R 4600/4885TSHR 3612/4885HSD17B10 4027/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK KISS1R 4600/4885TSHR 3612/4885HSD17B10 4027/4885

“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.