SCHEMBL793764

SCHEMBL793764

Cc1nc(NS(=O)(=O)c2cc(-c3cc(F)ccc3F)c(Cl)s2)sc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
LMNA P02545 3/20 0.45
PFKFB3 Q16875 2/20 0.43
GAA P10253 5/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL793558 0.88 ALDH1A1 (0.62) ALDH1A1LMNAGAAKDM4EKMT2A
SCHEMBL793187 0.86 PFKFB3 (0.39) ALDH1A1LMNAPFKFB3HTTNPC1
SCHEMBL30268487 0.83 HSD11B1 (0.42) ALDH1A1LMNAHTTTP53
SCHEMBL30268167 0.80 PYGL (0.41) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL30268509 0.79 SCN9A (0.40) KMT2AMEN1SMN1; SMN2MAPTRAB9A
SCHEMBL9997036 0.74 PFKFB3 (0.59) ALDH1A1PFKFB3KMT2AMEN1USP2
SCHEMBL787938 0.73 PFKFB3 (0.71) ALDH1A1PFKFB3
SCHEMBL15055847 0.70 PFKFB3 (0.51) ALDH1A1PFKFB3SMN1; SMN2TP53MAPT
SCHEMBL787588 0.69 SLC9A1 (0.36) LMNAHTTTP53MAPT
SCHEMBL5911722 0.69 ALDH1A1 (0.56) ALDH1A1LMNAGAAKDM4EKMT2A

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-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US claimed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US 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
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
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 ALDH1A1 1943/4885LMNA 4383/4885PFKFB3 1/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA ALDH1A1 390/4885LMNA 1654/4885PFKFB3 952/4885

“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.