SCHEMBL522653

SCHEMBL522653

COC(=O)c1ccc(CO)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA3 P07451 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 1/20 0.43

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
SCHEMBL8252765 0.88 GAA (0.47) CA12CA2CA7CA9CA14
SCHEMBL3921415 0.87 CYP4A11 (0.54) CA12CA2CA7CA9CA14
SCHEMBL14426335 0.86 CYP4F2 (0.53) CA12CA2CA7CA9CA14
SCHEMBL30514539 0.86 CYP4F2 (0.53) CA12CA2CA7CA9CA14
SCHEMBL9428167 0.85 GAA (0.45) CA12CA2CA7CA9CA14
SCHEMBL489064 0.85 ALDH1A1 (0.45) CA12CA2CA7CA9CA14
SCHEMBL507332 0.85 LOXL2 (0.54) CA12CA2CA7CA9CA14
SCHEMBL22006228 0.85 CA12 (0.46) CA12CA2CA7CA9CA14
SCHEMBL20772253 0.84 CYP4A11 (0.58) CYP4F2CYP4A11KDM4EHPGDGAA
SCHEMBL6477497 0.84 CA12 (0.55) CA12CA2CA7CA9CA14

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-3381913-B1 2-(((PYRROLIDIN-3-YL)CARBONYL)AMINO)-1H-IMIDAZOLE DERIVATIVES AS MELANOCORTIN RECEPTOR 1 (MCR1) AGONISTS FOR TREATING RHEUMATOID ARTHRITIS MITSUBISHI TANABE PHARMA CORP (JP) 2021-03-31 EP disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED 2019-01-10 US disclosed
US-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 US disclosed
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-07-26 US disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
CN-105473548-B Amide derivatives as lpa receptor antagonist 武田药品工业株式会社 2018-03-23 CN disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150057298-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-26 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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 (12 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR CA12 300/4885CA2 1770/4885CA7 1477/4885
US-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 CA12 3926/4885CA2 1426/4885CA7 2717/4885
US-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR CA12 300/4885CA2 1770/4885CA7 1477/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR CA12 300/4885CA2 1770/4885CA7 1477/4885
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 CA12 528/4885CA2 995/4885CA7 115/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR CA12 300/4885CA2 1770/4885CA7 1477/4885
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 CA12 3917/4885CA2 1508/4885CA7 2741/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR CA12 300/4885CA2 1770/4885CA7 1477/4885
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS DHPS, DHODH, APP CA12 1976/4885CA2 4163/4885CA7 3166/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 CA12 2076/4885CA2 2955/4885CA7 721/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR CA12 300/4885CA2 1770/4885CA7 1477/4885
US-20150057298-A1 NOVEL COMPOUNDS F12, C1R, CHRM1 CA12 2460/4885CA2 2933/4885CA7 1954/4885

“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.