SCHEMBL5199432

SCHEMBL5199432

FC(F)(F)c1ccc(-c2ccccc2CBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
TACR1 P25103 3/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
BACE1 P56817 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR7 P34969 1/20 0.39
MAOB P27338 1/20 0.39
MC4R P32245 1/20 0.38
ENPP1 P22413 1/20 0.38
DPP4 P27487 1/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.38
GSK3B P49841 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
SCHEMBL27682131 0.86 KIF11 (0.47) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL12074184 0.84 ENPP1 (0.45) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL5294357 0.84 TACR1 (0.51) KIF11TACR1ALDH1A1TSHRCYP1A2
SCHEMBL5198493 0.83 PDK2 (0.53) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL28961512 0.82 DPP4 (0.48) ALDH1A1TSHRCYP2C19HTR7DPP4
SCHEMBL13675366 0.81 KIF11 (0.50) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL5511135 0.81 KIF11 (0.50) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL9295043 0.81 DPP4 (0.62) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL2096005 0.81 KIF11 (0.50) KIF11TACR1FFAR1FFAR4BACE1
SCHEMBL17840160 0.80 KIF11 (0.68) KIF11BACE1ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122234-A9 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2002-01-16 EP claimed
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-09-06 US claimed
EP-1122234-A2 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-08-08 EP claimed
EP-1814861-A1 SUBSTITUTED 5-OXO PYRAZOLES AND [1,2,4]TRIAZOLES AS ANTIVIRAL AGENTS SCHERING CORPORATION (US) 2007-08-08 EP disclosed
US-7115749-B2 Substituted 5-oxo pyrazoles and [1,2,4]triazoles as antiviral agents SCHERING CORPORATION (US) 2006-10-03 US disclosed
US-20060111412-A1 For inhibiting hepatitis c virus RNA-dependent polymerase SCHERING CORPORATION 2006-05-25 US disclosed
WO-2006050035-A1 SUBSTITUTED 5-OXO PYRAZOLES AND [1,2,4]TRIAZOLES AS ANTIVIRAL AGENTS SCHERING CORPORATION (US) 2006-05-11 WO disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
EP-1122234-A9 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2002-01-16 EP disclosed
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1122234-A2 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-08-08 EP 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 (3 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-20060111412-A1 For inhibiting hepatitis c virus RNA-dependent polymerase RNASE1, POLRMT, POLR2E KIF11 2080/4885TACR1 2006/4885FFAR1 2844/4885
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC KIF11 4800/4885TACR1 1520/4885FFAR1 135/4885
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SLC6A11, CYP4F11, SLC39A11 KIF11 1001/4885TACR1 1587/4885FFAR1 1640/4885

“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.