SCHEMBL30355558

SCHEMBL30355558

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccccc4O)no3)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ S1PR1 P21453 4/20 0.41
▸ TPH1 P17752 2/20 0.40
▸ NR1H4 Q96RI1 2/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CHUK O15111 2/20 0.39
▸ TXNRD1 Q16881 2/20 0.39
▸ NOX4 Q9NPH5 2/20 0.39
▸ MEN1 O00255 2/20 0.39

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
SCHEMBL23523782 1.00 CASP3 (0.44) CASP3SENP8SENP7SENP6CNR1
SCHEMBL30355837 0.89 NR1H4 (0.50) CNR1CNR2S1PR1NR1H4NPC1
SCHEMBL23523958 0.89 NR1H4 (0.50) CNR1CNR2S1PR1NR1H4NPC1
SCHEMBL30355721 0.88 CNR1 (0.53) CNR1CNR2S1PR1NR1H4NPC1
SCHEMBL23523834 0.88 CNR1 (0.53) CNR1CNR2S1PR1NR1H4NPC1
SCHEMBL23523935 0.87 S1PR1 (0.41) CNR1CNR2S1PR1NPC1RAB9A
SCHEMBL20588066 0.87 S1PR1 (0.41) CNR1CNR2S1PR1NR1H4NPC1
SCHEMBL23558315 0.87 CHUK (0.45) CASP3SENP8SENP7SENP6CNR1
SCHEMBL30355618 0.87 S1PR1 (0.41) CNR1CNR2S1PR1NPC1RAB9A
SCHEMBL29673244 0.87 S1PR1 (0.41) CNR1CNR2S1PR1NR1H4NPC1

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CASP3 3079/4885SENP8 3546/4885SENP7 3962/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CASP3 3091/4885SENP8 2791/4885SENP7 3244/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CASP3 3079/4885SENP8 3546/4885SENP7 3962/4885

“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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