SCHEMBL23536313

SCHEMBL23536313

COCSc1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
APP P05067 1/20 0.38
LTA4H P09960 1/20 0.38
TSHR P16473 1/20 0.37
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
SLC6A4 P31645 5/20 0.34
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
DDB1 Q16531 1/20 0.33

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
SCHEMBL23536397 0.81 APP (0.37) APPTSHRMAOAMAOBSLC6A4
SCHEMBL2647401 0.79 CA2 (0.47) TSHRCA2MAPT
SCHEMBL23536089 0.79 TSHR (0.40) TSHRNOS3NOS1PRSS1PRSS2
SCHEMBL2646823 0.77 CYP4F2 (0.54) MAPT
SCHEMBL8881477 0.77 KDM4E (0.42) TSHRMAPT
SCHEMBL708720 0.77 SLC6A4 (0.53) DAOLTA4HTSHRNOS3NOS1
SCHEMBL9712024 0.76 LTA4H (0.39) DAOAPPLTA4HTSHRTOP2A
SCHEMBL24894090 0.76 CYP3A4 (0.44) TSHRMAOACRBNMAPT
SCHEMBL1684523 0.76 MAOA (0.48) MAOAMAOBMAPT
SCHEMBL12557496 0.76 KDM4E (0.32) APPMAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US 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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 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 DAO 4638/4885APP 2651/4885LTA4H 908/4885

“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.