SCHEMBL30355502

SCHEMBL30355502

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cccc(OC)n4)no3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.38
▸ NPC1 O15118 9/20 0.38
▸ RAB9A P51151 8/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ SMN1; SMN2 Q16637 9/20 0.37
▸ PKM P14618 3/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ESR2 Q92731 1/20 0.35

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
SCHEMBL23523771 1.00 S1PR1 (0.38) S1PR1NPC1RAB9AMAPTNFKB1
SCHEMBL30355598 0.84 NPC1 (0.57) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL30355668 0.84 S1PR1 (0.40) S1PR1NPC1RAB9AMAPTNFKB1
SCHEMBL23523853 0.84 S1PR1 (0.40) S1PR1NPC1RAB9AMAPTNFKB1
SCHEMBL23524021 0.84 NPC1 (0.57) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL23523720 0.84 PKM (0.53) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL30355399 0.84 PKM (0.53) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23524290 0.84 MAPT (0.54) S1PR1NPC1RAB9AMAPTNFKB1
SCHEMBL30355741 0.84 MAPT (0.54) S1PR1NPC1RAB9AMAPTNFKB1
SCHEMBL23524182 0.83 S1PR1 (0.52) S1PR1NPC1RAB9AMAPTNFKB1

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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