SCHEMBL23523853

SCHEMBL23523853

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(OC)nc4)no3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ S1PR3 Q99500 2/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ USP30 Q70CQ3 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
SCHEMBL30355668 1.00 S1PR1 (0.40) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL23524182 0.88 S1PR1 (0.52) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30355482 0.88 S1PR1 (0.52) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30355472 0.87 ACHE (0.39) S1PR1MAPT
SCHEMBL23523888 0.87 ACHE (0.39) S1PR1MAPT
SCHEMBL23524208 0.87 S1PR1 (0.37) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30355441 0.87 S1PR1 (0.37) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL23524429 0.87 S1PR1 (0.39) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30355437 0.87 S1PR1 (0.39) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL23524290 0.86 MAPT (0.54) S1PR1SMN1; SMN2MAPTNPC1RAB9A

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 5 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-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 1/4885SMN1; SMN2 1320/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885SMN1; SMN2 619/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885SMN1; SMN2 1320/4885MAPT 3799/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885SMN1; SMN2 1320/4885MAPT 3799/4885

“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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