SCHEMBL6561038

SCHEMBL6561038

N#Cc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.67
ESR2 Q92731 1/20 0.59
KIF11 P52732 3/20 0.53
AR P10275 7/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CCR6 P51684 1/20 0.46
PGR P06401 2/20 0.46
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
XDH P47989 1/20 0.42
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL6951936 0.83 ESR2 (0.61) PTPN5ESR2ARALDH1A1CCR6
SCHEMBL31410710 0.82 ESR2 (0.76) PTPN5ESR2ARALDH1A1KDM4E
SCHEMBL19797926 0.81 ESR2 (0.59) PTPN5ESR2KIF11ARALDH1A1
SCHEMBL6561050 0.81 ESR2 (0.59) PTPN5ESR2ARALDH1A1KDM4E
SCHEMBL4450175 0.81 KIF11 (0.75) PTPN5KIF11ARALDH1A1MAPT
SCHEMBL4200280 0.81 KIF11 (0.50) PTPN5ESR2KIF11ALDH1A1MAPT
SCHEMBL29876988 0.81 KIF11 (0.53) PTPN5KIF11ARALDH1A1MAPT
SCHEMBL27848327 0.81 CTSS (0.51) PTPN5ESR2ARALDH1A1MAPT
SCHEMBL7599697 0.80 ESR2 (0.58) PTPN5ESR2ARALDH1A1MAPT
SCHEMBL17840160 0.80 KIF11 (0.68) KIF11ALDH1A1KDM4ECYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110494442-B Peptide macrocycles and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2023-07-25 CN disclosed
EP-1223158-B1 Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles BAYER CHEMICALS AG (DE) 2004-08-11 EP disclosed
JP-2004067521-A METHOD FOR PRODUCING 2-CARBOXY-4'-(TRIFLUOROMETHYL)BIPHENYL ASAHI GLASS CO LTD 2004-03-04 JP disclosed
US-6580002-B2 Dihalo-, cyano- and methyl- substituted biphenyl chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-06-17 US disclosed
US-20030055285-A1 Process for the preparation of trifiuoromethyl-substituted biphenylcarboxylic acids and novel trichloromethyl-and trifluoromethyl-substituted biphenylcarbonitriles LANXESS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
US-6465688-B2 CONVERTING METHYL-SUBSTITUTED BIPHENYLCARBONITRILES TO A TRICHLOROMETHYL- AND HYDROLYZING TO CORRESPONDING CARBOXY ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-15 US disclosed
US-20020095052-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED BIPHENYLCARBOXYLIC ACIDS AND NOVEL TRICHLOROMETHYL - AND TRIFLUOROMETHYL - SUBSTITUTED BIPHENYLCARBONITRILES LANXESS DEUTSCHLAND GMBH (DE) 2002-07-18 US disclosed
EP-1223158-A1 Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles Bayer Aktiengesellschaft (DE) 2002-07-17 EP disclosed
EP-0106140-B1 BENZOIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-08-17 EP disclosed
EP-0106140-A2 Benzoic acid derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-04-25 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 (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-20030055285-A1 Process for the preparation of trifiuoromethyl-substituted biphenylcarboxylic acids and novel trichloromethyl-and trifluoromethyl-substituted biphenylcarbonitriles CPSF1, CYP2F1, CYP4F2 PTPN5 2170/4885ESR2 3683/4885KIF11 1968/4885
US-20020095052-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED BIPHENYLCARBOXYLIC ACIDS AND NOVEL TRICHLOROMETHYL - AND TRIFLUOROMETHYL - SUBSTITUTED BIPHENYLCARBONITRILES MCCC2, CYP2F1, CYP4F2 PTPN5 2557/4885ESR2 2903/4885KIF11 1901/4885

“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.