SCHEMBL20156925

SCHEMBL20156925

Cc1cc(S(N)(=O)=O)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGS1 P23219 6/20 0.41
PTGS2 P35354 6/20 0.41
CYP1A2 P05177 1/20 0.38
PDIA6 Q15084 1/20 0.37
ILK Q13418 1/20 0.37
CA9 Q16790 2/20 0.37
TET2 Q6N021 1/20 0.37
SOS1 Q07889 1/20 0.36
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL18668395 0.91 KDM4E (0.43) CA12CA1CA2CA7CA13
SCHEMBL29572042 0.91 KDM4E (0.43) CA12CA1CA2CA7CA13
SCHEMBL2773813 0.83 KDM4E (0.41) CA12CA1CA2CA7CA13
SCHEMBL20485787 0.82 CA1 (0.50) CA12CA1CA2CA7CA13
SCHEMBL14228553 0.82 CA1 (0.51) CA12CA1CA2CA7CA13
SCHEMBL29835219 0.81 CA2 (0.52) CA12CA1CA2CA7CA13
SCHEMBL1137624 0.81 CA2 (0.52) CA12CA1CA2CA7CA13
SCHEMBL15524948 0.79 POLB (0.41) CA12CA1CA2CA7CA13
SCHEMBL1094769 0.78 TRPV4 (0.32) CA12CA1CA2CA7CA13
SCHEMBL1346797 0.77 CA2 (0.48) CA12CA1CA2CA7CA13

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
US-10316026-B2 Method for removing dimethoxybenzyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-06-11 US disclosed
EP-3372583-A1 METHOD FOR REMOVING DIMETHOXYBENZYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-09-12 EP disclosed
US-20180251448-A1 METHOD FOR REMOVING DIMETHOXYBENZYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-09-06 US disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 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 (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-20180251448-A1 METHOD FOR REMOVING DIMETHOXYBENZYL GROUP DDT, ALKBH5, DDO CA12 2604/4885CA1 2756/4885CA2 3283/4885
US-10316026-B2 Method for removing dimethoxybenzyl group DDT, ALKBH5, DDO CA12 2604/4885CA1 2756/4885CA2 3283/4885

“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.