SCHEMBL7828166

SCHEMBL7828166

O=C(O)c1ccc(NS(=O)(=O)c2ccccc2)cc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.78
PFKFB3 Q16875 4/20 0.65
GAA P10253 2/20 0.63
GFER P55789 1/20 0.63
APOBEC3G Q9HC16 1/20 0.63
ALDH1A1 P00352 6/20 0.62
HSD17B10 Q99714 3/20 0.62
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 2/20 0.59
PTPN5 P54829 1/20 0.56
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 2/20 0.55
ACLY P53396 1/20 0.55

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
SCHEMBL9997215 0.91 MCL1 (0.74) MCL1PFKFB3GAAALDH1A1HSD17B10
SCHEMBL9997986 0.89 PFKFB3 (0.71) MCL1PFKFB3GAAGFERAPOBEC3G
SCHEMBL9997059 0.88 PFKFB3 (0.64) MCL1PFKFB3GAAGFERAPOBEC3G
SCHEMBL9997330 0.88 MCL1 (0.70) MCL1PFKFB3GAAGFERALDH1A1
SCHEMBL9997177 0.88 MCL1 (1.00) MCL1PFKFB3ALDH1A1KMT2AMEN1
SCHEMBL30076591 0.88 MCL1 (1.00) MCL1PFKFB3ALDH1A1KMT2AMEN1
SCHEMBL16366458 0.88 ALDH1A1 (0.75) MCL1GAAGFERAPOBEC3GALDH1A1
SCHEMBL9997198 0.87 AKR1C3 (0.66) MCL1PFKFB3GAAGFERALDH1A1
SCHEMBL150434 0.87 MCL1 (0.68) MCL1PFKFB3GAAALDH1A1HSD17B10
SCHEMBL1130086 0.87 MCL1 (0.68) MCL1PFKFB3GFERALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US claimed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO claimed
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
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 1/4885GAA 2375/4885

“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.