SCHEMBL23524238

SCHEMBL23524238

O=C1CC(CO)(CO)Oc2ccc(-c3nc(-c4ccncc4)no3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.44
▸ RAB9A P51151 11/20 0.44
▸ S1PR1 P21453 3/20 0.43
▸ S1PR3 Q99500 2/20 0.43
▸ MAPT P10636 6/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL23558412 0.90 TPH1 (0.42) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL23524003 0.89 S1PR1 (0.47) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL23558565 0.88 NPC1 (0.42) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL23524204 0.88 NPC1 (0.49) NPC1RAB9AS1PR1MAPTSMN1; SMN2
SCHEMBL23558254 0.87 S1PR1 (0.38) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL23524245 0.87 NPC1 (0.47) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL23558493 0.85 TPH1 (0.41) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL23558439 0.85 TPH1 (0.42) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL23523822 0.84 NPC1 (0.50) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL23558442 0.83 S1PR1 (0.42) NPC1RAB9AS1PR1MAPTSMN1; SMN2

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 9 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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 NPC1 301/4885RAB9A 3056/4885S1PR1 1/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885S1PR1 1/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885S1PR1 1/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885S1PR1 1/4885

“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.

Send feedback