SCHEMBL4398358

SCHEMBL4398358

Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN(C(=O)O)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 11/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2460370 1.00 EPHX2 (0.45) EPHX2ALDH1A1PKMHPGDHSD17B10
SCHEMBL5662056 1.00 EPHX2 (0.45) EPHX2ALDH1A1PKMHPGDHSD17B10
SCHEMBL13738496 0.93 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL13740063 0.93 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL7000711 0.93 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL8577424 0.88 PSEN1 (0.43) EPHX2ALDH1A1PKMGAALMNA
SCHEMBL8721693 0.88 PSEN1 (0.43) EPHX2ALDH1A1PKMGAALMNA
SCHEMBL8577430 0.88 PSEN1 (0.43) EPHX2ALDH1A1PKMGAALMNA
SCHEMBL23705651 0.87 STAT3 (0.44) ALDH1A1PKMHSD17B10GAALMNA
SCHEMBL8577542 0.86 F2 (0.53) EPHX2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES CILAG AG (CH) 2024-05-30 US disclosed
WO-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 WO disclosed
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
EP-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US 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 (3 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 EPHX2 2383/4885ALDH1A1 1047/4885PKM 1005/4885
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 EPHX2 3507/4885ALDH1A1 4411/4885PKM 614/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 EPHX2 2677/4885ALDH1A1 178/4885PKM 524/4885

“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.