SCHEMBL30232338

SCHEMBL30232338

COc1cc(S(N)(=O)=O)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.53
▸ LRRK2 Q5S007 2/20 0.49
▸ LOX P28300 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ CA1 P00915 7/20 0.43
▸ CA2 P00918 7/20 0.43
▸ CA12 O43570 5/20 0.43
▸ CA9 Q16790 5/20 0.43
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TTK P33981 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ PLAT P00750 1/20 0.39

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
SCHEMBL3467323 0.83 LOX (0.46) S1PR1LRRK2LOXLOXL2CYP2C19
SCHEMBL5700299 0.83 SMN1; SMN2 (0.50) S1PR1LRRK2LOXLOXL2CYP2C19
SCHEMBL23647504 0.83 S1PR1 (0.40) S1PR1LRRK2LOXLOXL2CA1
SCHEMBL25272109 0.81 LOX (0.44) S1PR1LRRK2LOXLOXL2CYP2C19
SCHEMBL29284918 0.76 LOX (0.47) S1PR1LOXLOXL2CA1CA2
SCHEMBL14317797 0.75 CA1 (0.46) LRRK2CA1CA2CA12CA9
SCHEMBL24669127 0.75 CA2 (0.48) CA1CA2CA12CA9CA3
SCHEMBL1422284 0.72 CA1 (0.61) S1PR1CA1CA2CA12CA9
SCHEMBL22601565 0.72 CA1 (0.48) CA1CA2CA12CA9CA3
SCHEMBL28819367 0.72 CA1 (0.61) S1PR1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 — — 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 (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 S1PR1 634/4885LRRK2 1411/4885LOX 3959/4885

“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.

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