SCHEMBL797342

SCHEMBL797342

CC1(C)OC(=O)C(=CNc2ccc(Cl)nc2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 3/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 2/20 0.43
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL29894730 1.00 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL15979042 0.84 ALDH1A1 (0.64) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL24423111 0.83 ALDH1A1 (0.71) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL27006923 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL29692810 0.81 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL2206344 0.81 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL30426206 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL15084646 0.79 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL5591996 0.78 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL5739160 0.77 ALDH1A1 (1.00) ALDH1A1TSHRHSD17B10MAPK1CYP1A2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 EP disclosed
EP-2776436-B1 NEW COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2019-03-13 EP disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
WO-2015074516-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 2015-05-28 WO disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
WO-2014079364-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 (CN) 2014-05-30 WO disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2013061077-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 WO disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 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-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DMPK, MAP3K15, MAP4K2 ALDH1A1 1986/4885TSHR 2556/4885HSD17B10 1111/4885
US-20150057293-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 ALDH1A1 1226/4885TSHR 4184/4885HSD17B10 3095/4885
US-20170105978-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 ALDH1A1 1226/4885TSHR 4184/4885HSD17B10 3095/4885
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR ALDH1A1 1182/4885TSHR 2922/4885HSD17B10 518/4885

“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.