SCHEMBL23043571

SCHEMBL23043571

Cc1c(S(N)(=O)=O)ccc(S(N)(=O)=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.48
CA2 P00918 7/20 0.46
CA1 P00915 6/20 0.46
CA9 Q16790 6/20 0.46
CA12 O43570 5/20 0.46
CA6 P23280 4/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CA3 P07451 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
CA4 P22748 2/20 0.44
CYP2C9 P11712 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PDIA6 Q15084 1/20 0.44
LDHA P00338 1/20 0.43
LRRK2 Q5S007 3/20 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
SCHEMBL701462 0.90 ALDH1A1 (0.55) ALDH1A1KDM4ECA2CA1CA9
SCHEMBL30239389 0.88 CA2 (0.46) ALDH1A1KDM4ECA2CA1CA9
Hydrochloric Acid SCHEMBL6021662 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ECA2CA1CA9
Hydrochloric Acid SCHEMBL8306778 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ECA2CA1CA9
SCHEMBL5880820 0.88 CA2 (0.46) ALDH1A1KDM4ECA2CA1CA9
SCHEMBL7591942 0.86 ALDH1A1 (0.43) ALDH1A1KDM4ECA2CA1CA9
SCHEMBL10808580 0.83 CA2 (0.52) ALDH1A1KDM4ECA2CA1CA9
SCHEMBL691733 0.82 ALDH1A1 (0.56) ALDH1A1CA2CA1CA9CA12
SCHEMBL5935086 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ECA2CA1CA9
SCHEMBL28398010 0.81 CA2 (0.49) ALDH1A1KDM4ECA2CA1CA9

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
EP-4337206-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2024-03-20 EP disclosed
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
WO-2022240992-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2022-11-17 WO disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2022150461-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2022-07-14 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 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 (1 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 ALDH1A1 3737/4885KDM4E 2480/4885CA2 294/4885

“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.