SCHEMBL30355650

SCHEMBL30355650

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cncc(C(N)=O)c4)no3)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.44
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.35
▸ MKNK2 Q9HBH9 2/20 0.35
▸ CPT1A P50416 2/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PKM P14618 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
SCHEMBL23523881 1.00 S1PR1 (0.44) S1PR1NPC1RAB9AS1PR3CYP11B1
SCHEMBL23523733 0.90 NPC1 (0.47) S1PR1NPC1RAB9ANR1H4SMN1; SMN2
SCHEMBL30355583 0.90 NPC1 (0.47) S1PR1NPC1RAB9ANR1H4SMN1; SMN2
SCHEMBL30355685 0.88 S1PR1 (0.39) S1PR1NPC1RAB9AS1PR3TP53
SCHEMBL23524254 0.88 S1PR1 (0.39) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL23524369 0.88 S1PR1 (0.39) S1PR1NPC1RAB9AS1PR3TP53
SCHEMBL30355746 0.87 S1PR1 (0.51) S1PR1NPC1RAB9AS1PR3TP53
SCHEMBL23524283 0.87 S1PR1 (0.51) S1PR1NPC1RAB9AS1PR3TP53
SCHEMBL23523985 0.86 CNR1 (0.38) S1PR1NPC1RAB9AS1PR3TP53
SCHEMBL30355403 0.86 CNR1 (0.38) S1PR1NPC1RAB9AS1PR3TP53

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 S1PR1 1/4885NPC1 301/4885RAB9A 3056/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885NPC1 311/4885RAB9A 2056/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885NPC1 301/4885RAB9A 3056/4885

“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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