SCHEMBL8412670

SCHEMBL8412670

CSc1cccc(C(F)(F)F)c1S(=O)(=O)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
P2RX7 Q99572 2/20 0.32
AR P10275 1/20 0.32
CES1 P23141 1/20 0.32
HSD11B1 P28845 1/20 0.32
PTPN1 P18031 1/20 0.31
CCR2 P41597 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SLC9A1 P19634 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8412954 0.81 PKM (0.34) SMN1; SMN2
SCHEMBL8411502 0.81 KMT2A (0.38) P2RX7ARCES1HSD11B1NR1H2
SCHEMBL8411483 0.79 P2RX7 (0.33) P2RX7CES1HSD11B1MEN1CYP1A2
SCHEMBL8734855 0.79 STK10 (0.31) STK10SLKP2RX7
SCHEMBL8410786 0.79 ALDH1A1 (0.33) SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL8732684 0.78 STK10 (0.30) STK10SLK
SCHEMBL8735030 0.77 CTSS (0.31)
SCHEMBL8409259 0.77 CCR2 (0.36) STK10SLKP2RX7ARCES1
SCHEMBL8409580 0.77 LMNA (0.33) SMN1; SMN2TSHR
SCHEMBL8734992 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708087-B1 Method for making a substituted benzene compound ROHM & HAAS (US) 1999-07-28 EP disclosed
US-5670691-A REACTION OF 2-SUBSTITUTED BENZENESULFONATE WITH LITHIUM COMPOUND THEN REACTION WITH ELECTROPHILE TO FORM 2,6-DISUBSTITUTED BENZENESULFONATE ROHM AND HAAS COMPANY (US) 1997-09-23 US disclosed
EP-0708087-A1 Method for making a substituted benzene compound ROHM AND HAAS COMPANY (US) 1996-04-24 EP disclosed