SCHEMBL30355597

SCHEMBL30355597

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)no3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.43
▸ P2RX3 P56373 1/20 0.38
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ TPH1 P17752 4/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 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
SCHEMBL23524409 1.00 HDAC4 (0.43) HDAC4P2RX3MMP2MMP9MMP8
SCHEMBL23523733 0.88 NPC1 (0.47) RARARARBRARGTPH1S1PR1
SCHEMBL30355583 0.88 NPC1 (0.47) RARARARBRARGTPH1S1PR1
SCHEMBL23523989 0.87 MAPT (0.42) S1PR1CNR1CNR2
SCHEMBL30355740 0.87 MAPT (0.43) TPH1S1PR1CNR1CNR2
SCHEMBL23523871 0.87 MAPT (0.43) TPH1S1PR1CNR1CNR2
SCHEMBL30355572 0.86 PLK1 (0.46) HDAC4RARARARBRARGS1PR1
SCHEMBL23524326 0.86 PLK1 (0.46) HDAC4RARARARBRARGS1PR1
SCHEMBL23523716 0.86 NPC1 (0.43) —
SCHEMBL30355571 0.86 NPC1 (0.43) —

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 HDAC4 2175/4885P2RX3 262/4885MMP2 3906/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 HDAC4 704/4885P2RX3 198/4885MMP2 3753/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 HDAC4 2175/4885P2RX3 262/4885MMP2 3906/4885

“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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