SCHEMBL9997019

SCHEMBL9997019

Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
HSD17B10 Q99714 2/20 0.70
MCL1 Q07820 1/20 0.62
POLB P06746 2/20 0.56
PKM P14618 3/20 0.56
PFKFB3 Q16875 3/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.53
PTPN5 P54829 1/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
PKLR P30613 1/20 0.52
HSD17B2 P37059 1/20 0.52
HTT P42858 1/20 0.52
NOD2 Q9HC29 1/20 0.52

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
SCHEMBL9997224 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10MCL1POLBPFKFB3
SCHEMBL9996930 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10MCL1POLBPKM
SCHEMBL9997119 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10MCL1POLBPKM
SCHEMBL1130086 0.86 MCL1 (0.68) ALDH1A1HSD17B10MCL1PFKFB3MEN1
SCHEMBL9997223 0.85 ALDH1A1 (0.63) ALDH1A1HSD17B10MCL1POLBPKM
SCHEMBL9997703 0.85 ALDH1A1 (0.67) ALDH1A1HSD17B10MCL1POLBPFKFB3
SCHEMBL9997289 0.83 PFKFB3 (0.61) ALDH1A1HSD17B10MCL1PFKFB3MEN1
SCHEMBL9997320 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10MCL1POLBPFKFB3
SCHEMBL9997330 0.82 MCL1 (0.70) ALDH1A1HSD17B10MCL1POLBPFKFB3
SCHEMBL7828166 0.81 MCL1 (0.78) ALDH1A1HSD17B10MCL1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 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
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 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 (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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ALDH1A1 1943/4885HSD17B10 1255/4885MCL1 1411/4885

“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.