SCHEMBL9997172

SCHEMBL9997172

O=C(O)c1ccc(NS(=O)(=O)c2cccnc2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.59
PFKFB3 Q16875 4/20 0.59
SNCA P37840 1/20 0.59
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 3/20 0.53
KMT2A Q03164 5/20 0.52
HPGD P15428 2/20 0.51
MEN1 O00255 4/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
PIK3CG P48736 1/20 0.48
GFER P55789 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL9997394 0.88 PFKFB3 (0.70) MCL1PFKFB3SNCAALDH1A1HSD17B10
SCHEMBL30268515 0.88 PFKFB3 (0.70) MCL1PFKFB3SNCAALDH1A1HSD17B10
SCHEMBL7828166 0.85 MCL1 (0.78) MCL1PFKFB3ALDH1A1HSD17B10KMT2A
SCHEMBL9996847 0.81 PFKFB3 (0.56) MCL1PFKFB3ALDH1A1HSD17B10KMT2A
SCHEMBL9997673 0.81 ACLY (0.60) MCL1PFKFB3ALDH1A1HSD17B10KMT2A
SCHEMBL9997265 0.81 MCL1 (0.55) MCL1PFKFB3ALDH1A1HSD17B10KMT2A
SCHEMBL9996924 0.81 PFKFB3 (0.69) MCL1PFKFB3ALDH1A1HSD17B10KMT2A
SCHEMBL9997059 0.80 PFKFB3 (0.64) MCL1PFKFB3ALDH1A1HSD17B10KMT2A
SCHEMBL5330736 0.80 ALDH1A1 (0.64) SNCAALDH1A1KMT2AMEN1KEAP1
SCHEMBL1676750 0.79 POLB (0.64) PFKFB3SNCAALDH1A1HSD17B10KMT2A

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 MCL1 1411/4885PFKFB3 1/4885SNCA 4068/4885

“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.