SCHEMBL3658992

SCHEMBL3658992

Nc1ccc(SC(Cl)(Cl)Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3627129 0.82 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL4142499 0.78 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA4
SCHEMBL10361210 0.77 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA4
SCHEMBL5981668 0.76 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL29019053 0.76 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL3620222 0.76 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA4
SCHEMBL4145466 0.76 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA4
SCHEMBL4145587 0.76 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA4
SCHEMBL24906216 0.72 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4
SCHEMBL388877 0.72 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4

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
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
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-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
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 ALDH1A1 406/4885CA12 4172/4885CA1 3968/4885
US-20100331578-A1 4-(TRICHLOROMETHYLTHIO) ANILINES, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING 4-(TRIFLUOROMETHYLTHIO) ANILINES PFAS, AFF4, ACSL4 ALDH1A1 406/4885CA12 4172/4885CA1 3968/4885

“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.