SCHEMBL308902

SCHEMBL308902

CC(C)(C#N)c1ccc(Br)cc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
KIF11 P52732 1/20 0.34
PYCR1 P32322 1/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
APLNR P35414 2/20 0.31
NMT1 P30419 1/20 0.31
AR P10275 2/20 0.30

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
SCHEMBL30350712 1.00 DGAT1 (0.34) DGAT1KIF11PYCR1KDM1AKDM1B
SCHEMBL3860257 0.85 PTGDR2 (0.31) DGAT1PYCR1KDM1A
SCHEMBL19924965 0.81 KCNN4 (0.37) KIF11CYP11B1CYP11B2AR
SCHEMBL29700966 0.81 KCNN4 (0.37) KIF11CYP11B1CYP11B2AR
SCHEMBL4474145 0.80 KDM1A (0.39) KIF11KDM1AAR
SCHEMBL307346 0.79 PYCR1 (0.33) PYCR1
SCHEMBL25738285 0.79 KIF11 (0.39) KIF11CYP11B1CYP11B2AR
SCHEMBL3990370 0.79 PYCR1 (0.39) DGAT1KIF11PYCR1KDM1AKDM1B
SCHEMBL799852 0.78 DGAT1 (0.39) DGAT1PYCR1KDM1AKDM1BCYP11B1
SCHEMBL13686005 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US claimed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US claimed
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed
EP-3239143-B1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEMICAL LTD (KR) 2023-03-22 EP disclosed
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2022-05-05 US disclosed
US-11261186-B2 Biaryl derivative as GPR120 agonist LG CHEM. LTD. (KR) 2022-03-01 US disclosed
US-20170349594-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2017-12-07 US disclosed
EP-3239143-A2 BIARYL DERIVATIVE AS GPR120 AGONIST LG Chem, Ltd. (KR) 2017-11-01 EP disclosed
EP-2758377-B1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
EP-2758377-B1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
US-20040224960-A1 Pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-11-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (8 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-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT DGAT1 833/4885KIF11 2029/4885PYCR1 1998/4885
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR DGAT1 271/4885KIF11 4608/4885PYCR1 1275/4885
US-20040224960-A1 Pharmaceutical compositions and methods for their use CYP3A5, CYP3A7, CYP3A43 DGAT1 1857/4885KIF11 4483/4885PYCR1 618/4885
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C DGAT1 4307/4885KIF11 2866/4885PYCR1 172/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 DGAT1 486/4885KIF11 2422/4885PYCR1 1800/4885
US-20170349594-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR DGAT1 271/4885KIF11 4608/4885PYCR1 1275/4885
US-11261186-B2 Biaryl derivative as GPR120 agonist GPR119, GPR88, FFAR1 DGAT1 279/4885KIF11 4703/4885PYCR1 1635/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 DGAT1 486/4885KIF11 2422/4885PYCR1 1800/4885

“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.