SCHEMBL7598776

SCHEMBL7598776

O=S(=O)(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
CES2 O00748 1/20 0.40
KIF11 P52732 1/20 0.39
SOD1 P00441 1/20 0.39
IDO1 P14902 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ACP1 P24666 1/20 0.36
MAPT P10636 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CXCR2 P25025 1/20 0.34
HSD11B1 P28845 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL7596122 0.88 CA1 (0.40) CA1CA2CA9CES2KIF11
SCHEMBL31179785 0.84 CES2 (0.44) CES2RXRARXRBRXRGMAPT
SCHEMBL18001992 0.84 ALDH1A1 (0.37) CA1CA2CA9KIF11IDO1
SCHEMBL16729521 0.84 IDO1 (0.37) CA1CA2CA9KIF11SOD1
SCHEMBL926505 0.84 CA2 (0.41) CA1CA2CA9HTR1AHTR1D
SCHEMBL1723540 0.83 CA1 (0.40) CA1CA2CA9RXRARXRB
SCHEMBL16399061 0.82 NR3C1 (0.47) CA1CA2CA9KIF11MAPT
SCHEMBL15453841 0.81 CA2 (0.41) CA1CA2CA9CES2KIF11
SCHEMBL9451231 0.81 CA2 (0.66) CA1CA2CA9CES2KIF11
SCHEMBL6938268 0.80 NR3C1 (0.48) CA1CA2CA9CES2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 US claimed
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 US disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 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 (1 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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 CA1 1253/4885CA2 454/4885CA9 471/4885

“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.