SCHEMBL9997015

SCHEMBL9997015

COc1ccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.62
MCL1 Q07820 1/20 0.54
ACLY P53396 2/20 0.53
LMNA P02545 4/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ERAP1 Q9NZ08 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
PLAU P00749 1/20 0.50
CA12 O43570 1/20 0.50

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
SCHEMBL9997070 0.94 PFKFB3 (0.63) PFKFB3MCL1ACLYALDH1A1TSHR
SCHEMBL9997118 0.92 PFKFB3 (0.60) PFKFB3MCL1ACLYLMNAHTT
SCHEMBL9997958 0.91 PFKFB3 (0.63) PFKFB3MCL1ACLYHTTERAP1
SCHEMBL12070472 0.91 PFKFB3 (0.59) PFKFB3MCL1ACLYLMNAHTT
SCHEMBL9997463 0.88 PFKFB3 (0.63) PFKFB3MCL1LMNAHTTPLAU
SCHEMBL9997084 0.88 LMNA (0.68) MCL1LMNAHTTSMN1; SMN2HDAC3
SCHEMBL9997250 0.86 PFKFB3 (0.68) PFKFB3MCL1ACLYLMNAHTT
SCHEMBL9997026 0.86 PFKFB3 (0.62) PFKFB3MCL1ACLYALDH1A1TSHR
SCHEMBL9997986 0.85 PFKFB3 (0.71) PFKFB3MCL1ACLYALDH1A1GAA
SCHEMBL9997276 0.85 PFKFB3 (0.62) PFKFB3MCL1ACLYLMNASMN1; SMN2

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 6 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
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 PFKFB3 1/4885MCL1 1411/4885ACLY 61/4885

“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.