SCHEMBL17418059

SCHEMBL17418059

Cc1ccc(S(=O)(=O)O)cc1C(C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS2 P35354 5/20 0.35
PTGS1 P23219 2/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL9099551 0.82 HTT (0.47) HTTCYP2D6ALDH1A1KMT2ASNCA
SCHEMBL4026469 0.78 HTT (0.41) HTTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9101581 0.77 HTT (0.43) HTTCYP2C19ALDH1A1SNCAMAPT
SCHEMBL17417188 0.77 HTT (0.54) HTTCYP2C19ALOX15ALDH1A1KMT2A
SCHEMBL775990 0.74 HTT (0.41) HTTCYP2C19ALDH1A1SNCAMAPT
SCHEMBL9614139 0.74 HTT (0.42) HTTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL28880210 0.73 ACLY (0.35) CYP1A2CYP2C19CYP3A4CYP2D6ALOX15
SCHEMBL776507 0.73 HTT (0.39) HTTCYP1A2CYP2C19ALDH1A1SNCA
SCHEMBL29029868 0.73 LMNA (0.41) HTTCYP2C19ALDH1A1SNCAMAPT
SCHEMBL9615906 0.72 HTT (0.43) HTTALDH1A1KMT2ASNCAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380466-A1 SUBSTITUTED BENZAMIDES USEFUL AS SODIUM CHANNEL BLOCKERS Genentech, Inc. (US) 2018-10-03 EP disclosed
WO-2017091592-A1 SUBSTITUTED BENZAMIDES USEFUL AS SODIUM CHANNEL BLOCKERS GENENTECH, INC. (US) 2017-06-01 WO disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US 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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 HTT 2855/4885CYP1A2 17/4885CYP2C19 48/4885

“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.