SCHEMBL6958683

SCHEMBL6958683

CS(=O)(=O)c1[c]cc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
CYP19A1 P11511 2/20 0.32
MAPT P10636 1/20 0.32
PPME1 Q9Y570 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA14 Q9ULX7 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
RAD51 Q06609 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL6959899 0.75 MAPT (0.45) ALDH1A1CA2CA1CA9CA12
SCHEMBL9320579 0.72 PTGS2 (0.35) PTGS2CYP2A6ALDH1A1CA2CA1
SCHEMBL4728987 0.71 GAA (0.36) PTGS2ALDH1A1CA2CA1CA9
SCHEMBL3066974 0.71 ENPP2 (0.43) PTGS2
SCHEMBL18230264 0.69 PLCG1 (0.33) PTGS2CA2SLC22A12
SCHEMBL18230176 0.69 L3MBTL1 (0.39) ALDH1A1CA2CA1CA9CA12
SCHEMBL1197147 0.69 PTGS2 (0.36) PTGS2ALDH1A1CA2CA1CA9
SCHEMBL5496181 0.69 USP8 (0.32) ALDH1A1
SCHEMBL803901 0.69 PTGS2 (0.68) PTGS2CYP2A6ALDH1A1CA2CA1
SCHEMBL351012 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US claimed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PTGS2 861/4885CYP2A6 4037/4885ALDH1A1 1943/4885
US-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 PTGS2 980/4885CYP2A6 1333/4885ALDH1A1 1674/4885

“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.