SCHEMBL30355832

SCHEMBL30355832

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccnc(NC(C)=O)c4)no3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.42
▸ CPT1A P50416 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ S1PR3 Q99500 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ BUB1 O43683 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ CA2 P00918 1/20 0.35

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
SCHEMBL23524078 1.00 S1PR1 (0.42) S1PR1CPT1ATP53POLBMAPT
SCHEMBL23523926 0.87 MAPT (0.47) TP53POLBMAPTCA2
SCHEMBL30355529 0.87 MAPT (0.47) TP53POLBMAPTCA2
SCHEMBL30355402 0.86 GSK3B (0.39) S1PR1GSK3BS1PR3
SCHEMBL23524446 0.86 GSK3B (0.39) S1PR1GSK3BS1PR3
SCHEMBL23524282 0.86 S1PR1 (0.43) S1PR1MAPTS1PR3
SCHEMBL30355756 0.86 S1PR1 (0.43) S1PR1MAPTS1PR3
SCHEMBL23523776 0.85 S1PR1 (0.47) S1PR1MAPTS1PR3
SCHEMBL30355614 0.85 S1PR1 (0.47) S1PR1MAPTS1PR3
SCHEMBL23523952 0.85 S1PR1 (0.48) S1PR1MAPTS1PR3

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 1/4885CPT1A 2178/4885TP53 4030/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885CPT1A 618/4885TP53 4852/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885CPT1A 2178/4885TP53 4030/4885

“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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