SCHEMBL788640

SCHEMBL788640

O=C(O)Cc1cccc(NS(=O)(=O)c2cc3ccccc3s2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
PFKFB3 Q16875 1/20 0.51
FABP4 P15090 1/20 0.50
GHSR Q92847 1/20 0.50
MCL1 Q07820 1/20 0.49
S1PR5 Q9H228 4/20 0.48
PHGDH O43175 1/20 0.47
ALDH1A1 P00352 1/20 0.45
CCR2 P41597 1/20 0.44
SENP5 Q96HI0 1/20 0.43
SENP2 Q9HC62 1/20 0.43
SENP1 Q9P0U3 1/20 0.43
HTR6 P50406 1/20 0.43
KIT P10721 1/20 0.43
TPSAB1 Q15661 1/20 0.43
CA2 P00918 1/20 0.43
S1PR4 O95977 3/20 0.42

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
SCHEMBL8248623 0.88 HDAC1 (0.55) HDAC1PFKFB3GHSRMCL1ALDH1A1
SCHEMBL5048183 0.88 HDAC1 (0.60) HDAC1FABP4GHSRMCL1ALDH1A1
SCHEMBL788555 0.87 GHSR (0.50) HDAC1PFKFB3FABP4GHSRMCL1
SCHEMBL16756206 0.82 HDAC1 (0.62) HDAC1GHSRMCL1ALDH1A1CCR2
SCHEMBL788023 0.81 PFKFB3 (0.58) HDAC1PFKFB3FABP4GHSR
SCHEMBL5794925 0.78 MCL1 (0.48) HDAC1GHSRMCL1ALDH1A1CCR2
SCHEMBL8242509 0.76 HDAC1 (0.64) HDAC1GHSRMCL1CCR2KIT
SCHEMBL5047130 0.75 HDAC1 (0.56) HDAC1FABP4GHSRMCL1ALDH1A1
SCHEMBL9996977 0.75 PFKFB3 (0.60) HDAC1PFKFB3GHSRMCL1ALDH1A1
SCHEMBL8798934 0.74 CA2 (0.51) HDAC1MCL1CCR2HTR6TPSAB1

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 16 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
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP claimed
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
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP 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 HDAC1 826/4885PFKFB3 1/4885FABP4 871/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA HDAC1 357/4885PFKFB3 952/4885FABP4 1228/4885

“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.