SCHEMBL2849310

SCHEMBL2849310

Oc1cc(C(F)(F)F)nc2c(OC(F)(F)F)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.39
IGF1R P08069 1/20 0.37
ADORA2A P29274 8/20 0.36
ADORA1 P30542 7/20 0.36
LMNA P02545 2/20 0.35
EPHX2 P34913 1/20 0.35
TRPA1 O75762 1/20 0.34
KCNH2 Q12809 5/20 0.33
CYP3A4 P08684 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NR1I2 O75469 1/20 0.33
TP53 P04637 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
SCHEMBL2709144 0.85 TNKS (0.44) POLBNPSR1KDM4EADORA2ALMNA
SCHEMBL2859753 0.84 NPSR1 (0.43) POLBNPSR1KDM4EIGF1RADORA2A
SCHEMBL7691626 0.81 PARP1 (0.43) POLBKDM4EADORA2AADORA1LMNA
SCHEMBL1655812 0.78 KCNH2 (0.49) KDM4EADORA2AADORA1LMNAKCNH2
SCHEMBL2709776 0.78 PRKD3 (0.40) POLBKDM4EADORA2AADORA1LMNA
SCHEMBL2709066 0.77 ELANE (0.47) KDM4EADORA2AADORA1LMNATRPA1
SCHEMBL2711485 0.77 MAP4K4 (0.41) POLBNPSR1KDM4EIGF1RADORA2A
SCHEMBL31327745 0.77 ENPP3 (0.48) POLBKDM4EADORA2AADORA1LMNA
SCHEMBL28858276 0.77 ENPP3 (0.48) POLBKDM4EADORA2AADORA1LMNA
SCHEMBL19209596 0.76 ACP1 (0.42) POLBNPSR1IGF1REPHX2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106750314-B Preparation method of organic silicon flame retardant for ABS resin 普信氟硅新材料(衢州)有限公司 2020-02-18 CN claimed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed
CN-106750314-B Preparation method of organic silicon flame retardant for ABS resin 普信氟硅新材料(衢州)有限公司 2020-02-18 CN disclosed
WO-2017136642-A1 ANTIBIOTIC COMPOSITIONS THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2017-08-10 WO disclosed
WO-2017136642-A1 ANTIBIOTIC COMPOSITIONS THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2017-08-10 WO disclosed
CN-106750314-A A kind of preparation method of the organic silicon fibre retardant for ABS resin 衢州普信新材料有限公司 2017-05-31 CN disclosed
EP-1505963-B9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-21 EP disclosed
EP-2340830-A2 Hepatitis C Virus Inhibitors Bristol-Myers Squibb Company (US) 2011-07-06 EP disclosed
EP-1505963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-20 EP disclosed
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 EP disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (2 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 POLB 4577/4885NPSR1 1972/4885KDM4E 1080/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 POLB 4576/4885NPSR1 1994/4885KDM4E 1384/4885

“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.