SCHEMBL20911522

SCHEMBL20911522

Cc1ccc(S(=O)(=O)C(C#N)c2cccc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
KDR P35968 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL15830637 0.82 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5776454 0.82 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL29950797 0.81 MAPT (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL20272734 0.81 MAPT (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL22730465 0.80 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17446871 0.80 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18058991 0.78 PTGS2 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4833791 0.77 CES2 (0.37) ALDH1A1HPGDCES2CES1ACHE
SCHEMBL30716693 0.77 CES2 (0.37) ALDH1A1HPGDCES2CES1ACHE
SCHEMBL14022631 0.77 PSEN1 (0.52) MEN1KMT2AKDM4EALDH1A1HPGD

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
US-11072626-B2 Small molecule inhibitors of Galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-27 US disclosed
US-20200308213-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2020-10-01 US disclosed
WO-2019075045-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 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-20200308213-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP MEN1 2006/4885KMT2A 4698/4885KDM4E 3932/4885
US-11072626-B2 Small molecule inhibitors of Galectin-3 LGALS3, LGALS1, LGALS3BP MEN1 2006/4885KMT2A 4698/4885KDM4E 3932/4885

“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.