SCHEMBL8920172

SCHEMBL8920172

CCOC(=O)C(=NO)C(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TRPA1 O75762 1/20 0.45
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
GLO1 Q04760 1/20 0.35
ABCB1 P08183 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8920168 1.00 ALDH1A1 (0.45) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT
SCHEMBL7766360 0.83 SOAT1 (0.41) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT
SCHEMBL7766368 0.83 SOAT1 (0.41) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT
SCHEMBL7766372 0.83 SOAT1 (0.41) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT
SCHEMBL2914885 0.83 ALDH1A1 (0.46) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT
SCHEMBL16767839 0.81 ALDH1A1 (0.42) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT
SCHEMBL9076017 0.81 ALDH1A1 (0.42) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT
SCHEMBL7805500 0.81 ALDH1A1 (0.42) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT
SCHEMBL26422721 0.81 MAPT (0.35) ALDH1A1APOBEC3AAPOBEC3GMAPTNPSR1
SCHEMBL7805502 0.81 ALDH1A1 (0.42) ALDH1A1TRPA1APOBEC3AAPOBEC3GMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
EP-3046911-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-07-27 EP disclosed
WO-2015036560-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-19 WO disclosed
US-5616579-A ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
US-5583216-A Methods for the manufacture of cephems TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
EP-0562833-B1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO CO (JP) 1996-05-08 EP disclosed
EP-0562833-A1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-5079369-A N-acylating agent FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-07 US disclosed
US-4973684-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-27 US disclosed
US-4912212-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-27 US disclosed
US-4355160-A Thiazolylacetamido cephalosporin type compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 US disclosed
US-4316019-A AMIDATION BY A 2-ALKOXYIMINO-2-THIAZOLYLACETIC ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-02-16 US disclosed
US-4304770-A Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4298606-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-03 US disclosed
US-4279818-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-21 US disclosed
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 US disclosed
US-4203899-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-20 US disclosed
US-4166115-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 US disclosed
US-4098888-A THIAZOLYLACETAMIDO CEPHALOSPORIN TYPE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-04 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 (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-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP ALDH1A1 1089/4885TRPA1 2505/4885APOBEC3A 4381/4885

“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.