SCHEMBL30355373

SCHEMBL30355373

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(NC(C)=O)cc4OC(F)(F)F)no3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.40
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ RAF1 P04049 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ S1PR3 Q99500 2/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL23524009 1.00 S1PR1 (0.40) S1PR1TP53POLBMAPTGSK3B
SCHEMBL23558541 0.95 MAPT (0.40) S1PR1TP53POLBMAPTGSK3B
SCHEMBL30355359 0.91 SMN1; SMN2 (0.41) S1PR1TP53POLBMAPTS1PR5
SCHEMBL23524124 0.91 SMN1; SMN2 (0.41) S1PR1TP53POLBMAPTS1PR5
SCHEMBL30355529 0.86 MAPT (0.47) TP53POLBMAPTCA2
SCHEMBL23523926 0.86 MAPT (0.47) TP53POLBMAPTCA2
SCHEMBL30355550 0.80 TP53 (0.44) S1PR1TP53POLBMAPTGSK3B
SCHEMBL23523927 0.80 TP53 (0.44) S1PR1TP53POLBMAPTGSK3B
SCHEMBL23523962 0.78 ADRA1D (0.40) S1PR1CA2
SCHEMBL30355791 0.78 ADRA1D (0.40) S1PR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885TP53 4030/4885POLB 4432/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885TP53 4852/4885POLB 4750/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885TP53 4030/4885POLB 4432/4885

“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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