SCHEMBL23524038

SCHEMBL23524038

CCC1(CC)CC(=O)c2cc(-c3nsc(-c4cccnc4)n3)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CASP7 P55210 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34

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
SCHEMBL30355352 1.00 CYP19A1 (0.48) CYP19A1KDM4EGAAALDH1A1GLA
SCHEMBL30355477 0.96 CYP19A1 (0.48) CYP19A1KDM4EGAAALDH1A1GLA
SCHEMBL23524247 0.96 CYP19A1 (0.48) CYP19A1KDM4EGAAALDH1A1GLA
SCHEMBL30355765 0.84 ALDH1A1 (0.39) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL23523796 0.84 ALDH1A1 (0.39) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL23524242 0.83 KDM4E (0.41) CYP19A1KDM4EGAAALDH1A1GLA
SCHEMBL30355383 0.83 KDM4E (0.41) CYP19A1KDM4EGAAALDH1A1GLA
SCHEMBL23524239 0.83 NPC1 (0.49) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL30355722 0.83 NPC1 (0.49) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL23084682 0.81 MAPT (0.51) KDM4EALDH1A1HPGDHSD17B10RAB9A

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 CYP19A1 3367/4885KDM4E 2644/4885GAA 3859/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CYP19A1 1927/4885KDM4E 1123/4885GAA 2241/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CYP19A1 3367/4885KDM4E 2644/4885GAA 3859/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CYP19A1 3367/4885KDM4E 2644/4885GAA 3859/4885

“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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