SCHEMBL9997177

SCHEMBL9997177

O=C(O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 1.00
PGR P06401 5/20 0.61
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
FFAR1 O14842 2/20 0.58
FFAR4 Q5NUL3 1/20 0.58
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
PFKFB3 Q16875 1/20 0.56

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
SCHEMBL30076591 1.00 MCL1 (1.00) MCL1PGRCYP2C9CYP2C19MEN1
SCHEMBL15055672 0.89 MCL1 (0.80) MCL1PGRCYP2C9CYP2C19FFAR1
SCHEMBL7828166 0.88 MCL1 (0.78) MCL1MEN1KMT2AALDH1A1PFKFB3
SCHEMBL9996888 0.87 MCL1 (0.77) MCL1PGRMEN1KMT2AALDH1A1
SCHEMBL9997215 0.85 MCL1 (0.74) MCL1MEN1KMT2AALDH1A1PFKFB3
SCHEMBL9996812 0.83 ALDH1A1 (0.81) MCL1PGRMEN1KMT2AALDH1A1
SCHEMBL9997330 0.82 MCL1 (0.70) MCL1MEN1KMT2AALDH1A1PFKFB3
SCHEMBL150434 0.81 MCL1 (0.68) MCL1MEN1KMT2AALDH1A1PFKFB3
SCHEMBL1130086 0.81 MCL1 (0.68) MCL1MEN1KMT2AALDH1A1PFKFB3
SCHEMBL9997075 0.81 MCL1 (0.68) MCL1MEN1KMT2AALDH1A1PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP claimed
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
US-20220396549-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEROF UNIV MARYLAND (US) 2022-12-15 US disclosed
EP-3319938-B1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEREOF UNIV MARYLAND (US) 2022-04-06 EP disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
US-10858316-B2 Small molecule inhibitors of the MCL-1 oncoprotein and uses thereof UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-08 US disclosed
US-10858316-B2 Small molecule inhibitors of the MCL-1 oncoprotein and uses thereof UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-08 US disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
US-20180208554-A1 Small Molecule Inhibitors of the MCL-1 Oncoprotein and Uses Thereof UNIVERSITY OF MARYLAND, BALTIMORE 2018-07-26 US disclosed
US-20180208554-A1 Small Molecule Inhibitors of the MCL-1 Oncoprotein and Uses Thereof UNIVERSITY OF MARYLAND, BALTIMORE 2018-07-26 US disclosed
US-20180208554-A1 Small Molecule Inhibitors of the MCL-1 Oncoprotein and Uses Thereof UNIVERSITY OF MARYLAND, BALTIMORE 2018-07-26 US disclosed
WO-2017011323-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-01-19 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 (4 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-20220396549-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEROF MCL1, TP53, MYC MCL1 1/4885PGR 4485/4885CYP2C9 4854/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 MCL1 1411/4885PGR 3872/4885CYP2C9 3736/4885
US-10858316-B2 Small molecule inhibitors of the MCL-1 oncoprotein and uses thereof MCL1, BCL3, BCL9 MCL1 1/4885PGR 4485/4885CYP2C9 4851/4885
US-20180208554-A1 Small Molecule Inhibitors of the MCL-1 Oncoprotein and Uses Thereof MCL1, BCL3, BCL9 MCL1 1/4885PGR 4485/4885CYP2C9 4851/4885

“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.