SCHEMBL23523917

SCHEMBL23523917

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccccc4OC)no3)ccc2O1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ S1PR1 P21453 11/20 0.52
▸ TP53 P04637 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL30355447 1.00 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL25856287 0.92 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL30355606 0.88 S1PR1 (0.44) SMN1; SMN2ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL23523749 0.88 S1PR1 (0.44) SMN1; SMN2ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL30355787 0.88 S1PR1 (0.42) SMN1; SMN2ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL23524138 0.88 S1PR1 (0.42) SMN1; SMN2ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL23523958 0.87 NR1H4 (0.50) SMN1; SMN2HSD17B10RAB9ANPC1NPSR1
SCHEMBL30355837 0.87 NR1H4 (0.50) SMN1; SMN2HSD17B10RAB9ANPC1NPSR1
SCHEMBL23523782 0.86 CASP3 (0.44) SMN1; SMN2ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL23523834 0.86 CNR1 (0.53) SMN1; SMN2ALDH1A1KDM4EHSD17B10RAB9A

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 8 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

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 SMN1; SMN2 1320/4885ALDH1A1 2583/4885KDM4E 2644/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 619/4885ALDH1A1 1143/4885KDM4E 1123/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885ALDH1A1 2583/4885KDM4E 2644/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885ALDH1A1 2583/4885KDM4E 2644/4885

“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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