SCHEMBL3628825

SCHEMBL3628825

CSc1ccc(NC(=O)C(F)(F)F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.44
MAP2K1 Q02750 1/20 0.44
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
KIF11 P52732 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6571148 0.85 PDK1 (0.61) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571138 0.85 PDK1 (0.61) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL24246280 0.84 CA1 (0.42) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL3626274 0.84 KCNK2 (0.45) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL3626340 0.82 HDAC1 (0.55) MAP2K2MAP2K1L3MBTL1HTTCA1
SCHEMBL3627856 0.82 CA1 (0.38) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6358387 0.79 ABCC9 (0.42) MAP2K2MAP2K1ABCC9ABCC8KCNJ11
SCHEMBL15049327 0.79 PDK1 (0.47) MAP2K2MAP2K1ABCC9ABCC8KCNJ11
SCHEMBL6568838 0.78 PDK1 (0.56) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6568832 0.78 PDK1 (0.56) ABCC9ABCC8KCNJ11KCNJ8PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466321-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-18 US disclosed
US-8466321-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-18 US disclosed
EP-2174929-B1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE SUMITOMO CHEMICAL CO (JP) 2013-03-27 EP disclosed
EP-2174929-B1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE SUMITOMO CHEMICAL CO (JP) 2013-03-27 EP disclosed
US-8399707-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8399707-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8399707-B2 4-(trichloromethylthio) anilines, method for production thereof, and method for producing 4-(trifluoromethylthio) anilines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2012-09-27 US disclosed
US-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2012-09-27 US disclosed
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-30 US disclosed
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-30 US disclosed
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-30 US disclosed
EP-2174929-A1 4-(TRICHLOROMETHYLTHIO)ANILINE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO)ANILINE Sumitomo Chemical Company, Limited (JP) 2010-04-14 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-20120245388-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES PFAS, AFF4, ACSL4 MAP2K2 4562/4885MAP2K1 4725/4885ABCC9 2243/4885
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES PFAS, AFF4, ACSL4 MAP2K2 4562/4885MAP2K1 4725/4885ABCC9 2243/4885

“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.