SCHEMBL9997236

SCHEMBL9997236

CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)s1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 3/20 0.58
USP2 O75604 2/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 3/20 0.54
PFKFB3 Q16875 5/20 0.54
MCL1 Q07820 1/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
PTPN5 P54829 1/20 0.41

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
SCHEMBL9996816 0.84 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL9997173 0.81 CCKBR (0.54) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL9997023 0.81 PFKFB3 (0.57) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL9996928 0.81 PFKFB3 (0.67) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL28652477 0.81 PFKFB3 (0.47) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL25734170 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL9996955 0.78 PFKFB3 (0.57) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL9997132 0.76 PFKFB3 (0.52) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL9997902 0.76 ALDH1A1 (0.81) ALDH1A1MEN1KMT2AHPGDUSP2
SCHEMBL9997072 0.76 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDUSP2

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 1943/4885MEN1 3253/4885KMT2A 1147/4885

“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.