SCHEMBL23524138

SCHEMBL23524138

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cnccc4OC)no3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.42
▸ S1PR3 Q99500 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL30355787 1.00 S1PR1 (0.42) S1PR1S1PR3POLBNPC1SMN1; SMN2
SCHEMBL23523749 0.93 S1PR1 (0.44) S1PR1S1PR3POLBNPC1SMN1; SMN2
SCHEMBL30355606 0.93 S1PR1 (0.44) S1PR1S1PR3POLBNPC1SMN1; SMN2
SCHEMBL30355527 0.88 S1PR1 (0.44) S1PR1S1PR3NPC1SMN1; SMN2RAB9A
SCHEMBL23524131 0.88 S1PR1 (0.44) S1PR1S1PR3NPC1SMN1; SMN2RAB9A
SCHEMBL23523917 0.88 SMN1; SMN2 (0.55) S1PR1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL30355447 0.88 SMN1; SMN2 (0.55) S1PR1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL30355766 0.86 S1PR1 (0.53) S1PR1S1PR3NPC1SMN1; SMN2RAB9A
SCHEMBL23524301 0.86 S1PR1 (0.53) S1PR1S1PR3NPC1SMN1; SMN2RAB9A
SCHEMBL23523935 0.85 S1PR1 (0.41) S1PR1S1PR3POLBNPC1SMN1; 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 6 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

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 3/4885POLB 4432/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885POLB 4750/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885POLB 4432/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885POLB 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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