SCHEMBL23558371

SCHEMBL23558371

CC(O)CCc1ccc(-c2ccc(-c3ccc4c(c3)C=CC4)o2)cc1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL23558192 0.92 TYR (0.33) TYRCA12CA1CA4CA5A
SCHEMBL23558191 0.85
SCHEMBL23558287 0.83 BCHE (0.30)
SCHEMBL23558379 0.82
SCHEMBL23558185 0.81
SCHEMBL9629684 0.63 CA1 (0.34) CA1
SCHEMBL23558438 0.62
SCHEMBL19889285 0.62 TYR (0.69) TYR
SCHEMBL6415947 0.60 TYR (0.71) TYR
SCHEMBL22568840 0.60 CA1 (0.47) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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 (2 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 TYR 3336/4885CA12 4698/4885CA1 3782/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 TYR 3336/4885CA12 4698/4885CA1 3782/4885

“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.