SCHEMBL23523796

SCHEMBL23523796

CCC1(CC)CC(=O)c2cc(-c3nnc(-c4cccnc4)s3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ GLA P06280 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36

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
SCHEMBL30355765 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL23524355 0.86 KDM4E (0.35) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL30355603 0.86 KDM4E (0.35) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL30355355 0.84 KDM4E (0.48) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL23524270 0.84 KDM4E (0.48) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL23524038 0.84 CYP19A1 (0.48) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL30355352 0.84 CYP19A1 (0.48) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL23524247 0.84 CYP19A1 (0.48) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL30355477 0.84 CYP19A1 (0.48) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL23523829 0.84 CNR1 (0.38) ALDH1A1KDM4EHSD17B10GLAGAA

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 ALDH1A1 2583/4885KDM4E 2644/4885HSD17B10 3702/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 1143/4885KDM4E 1123/4885HSD17B10 1746/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885KDM4E 2644/4885HSD17B10 3702/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885KDM4E 2644/4885HSD17B10 3702/4885

“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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