SCHEMBL9997760

SCHEMBL9997760

O=C(O)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.64
▸ KMT2A Q03164 4/20 0.60
▸ PFKFB3 Q16875 2/20 0.60
▸ HSPD1 P10809 1/20 0.57
▸ PTPN2 P17706 1/20 0.57
▸ PTPN1 P18031 1/20 0.57
▸ PTPN5 P54829 1/20 0.57
▸ HSPE1 P61604 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ HPGD P15428 2/20 0.52
▸ POLB P06746 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ CCKBR P32239 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL9997485 0.82 GAA (0.69) KMT2APFKFB3HSPD1PTPN2PTPN1
SCHEMBL28644466 0.79 PFKFB3 (0.58) ACLYKMT2APFKFB3HSPD1PTPN2
SCHEMBL9997278 0.78 PFKFB3 (0.67) KMT2APFKFB3ALDH1A1HSD17B10MEN1
SCHEMBL21999590 0.78 ACLY (1.00) ACLYKMT2AALDH1A1POLBGFER
SCHEMBL9996904 0.78 PFKFB3 (0.74) ACLYKMT2APFKFB3HSPD1PTPN2
SCHEMBL6390668 0.77 KMT2A (0.68) ACLYKMT2AHSPD1PTPN2PTPN1
SCHEMBL5281454 0.76 KMT2A (0.70) ACLYKMT2AHSPD1PTPN2PTPN1
SCHEMBL5243746 0.76 KMT2A (0.64) KMT2AHSPD1PTPN2PTPN1PTPN5
SCHEMBL14433266 0.75 KMT2A (0.76) KMT2AHSPD1PTPN2PTPN1PTPN5
SCHEMBL15480580 0.75 KMT2A (0.71) ACLYKMT2AHSPD1PTPN2PTPN1

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 ACLY 61/4885KMT2A 1147/4885PFKFB3 1/4885

“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.

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