SCHEMBL23523935

SCHEMBL23523935

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccncc4O)no3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.41
▸ S1PR3 Q99500 5/20 0.41
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL30355618 1.00 S1PR1 (0.41) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL23558254 0.91 S1PR1 (0.38) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL30355766 0.90 S1PR1 (0.53) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL23524301 0.90 S1PR1 (0.53) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL30355534 0.89 S1PR1 (0.41) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL23524434 0.89 S1PR1 (0.41) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL30355527 0.88 S1PR1 (0.44) S1PR1S1PR3CNR1CNR2NPC1
SCHEMBL23524131 0.88 S1PR1 (0.44) S1PR1S1PR3CNR1CNR2NPC1
SCHEMBL23523782 0.87 CASP3 (0.44) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL30355558 0.87 CASP3 (0.44) S1PR1S1PR3CNR1CNR2MAPT

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 7 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
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
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (4 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 1/4885S1PR3 3/4885CNR1 20/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CNR1 10/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CNR1 20/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CNR1 20/4885

“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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