Sugi Predict

Sugi Predict / Compounds / SCHEMBL788018

SCHEMBL788018

SCHEMBL788018

Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)oc2ccc(C(C)C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 9/20 1.00
▸ PFKFB4 Q16877 5/20 0.64
▸ PTPN1 P18031 1/20 0.53
▸ PTPN6 P29350 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ WDR5 P61964 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ FABP4 P15090 1/20 0.45

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
SCHEMBL788388 0.90 PFKFB3 (0.81) PFKFB3PFKFB4PTPN1PTPN6SMN1; SMN2
SCHEMBL9997233 0.82 PFKFB3 (0.70) PFKFB3PFKFB4PTPN1PTPN6SMN1; SMN2
SCHEMBL788169 0.78 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL21857714 0.78 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL15079625 0.77 PFKFB3 (0.62) PFKFB3PFKFB4SMN1; SMN2ALDH1A1POLB
SCHEMBL793719 0.76 PFKFB3 (0.72) PFKFB3PFKFB4SMN1; SMN2
SCHEMBL788583 0.73 PFKFB3 (0.56) PFKFB3PTPN1SMN1; SMN2FABP4
SCHEMBL12171066 0.72 PFKFB3 (0.57) PFKFB3PFKFB4WDR5POLBFABP4
SCHEMBL788389 0.72 PFKFB3 (0.56) PFKFB3PFKFB4PTPN1SMN1; SMN2POLB
SCHEMBL787906 0.72 PFKFB3 (0.55) PFKFB3PTPN1SMN1; SMN2FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 — — US claimed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 — — EP claimed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 — — US claimed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 — — 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
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 — — US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 — — US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 — — US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 — — US disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 — — 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 (2 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 1/4885PFKFB4 2/4885PTPN1 3653/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885PFKFB4 889/4885PTPN1 1820/4885

“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.