SCHEMBL25863741

SCHEMBL25863741

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(C(=O)C(O)O)cc4)co3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.37
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 5/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ GAA P10253 4/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ GLA P06280 2/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL23558464 0.92 ACACB (0.37) ACACBHSD17B1HSD17B2ENPP3ENPP1
SCHEMBL25856816 0.86 ACACB (0.35) ACACBCNR1CNR2HSD17B1HSD17B2
SCHEMBL23558336 0.79 CNR1 (0.35) ACACBCNR1CNR2HSD17B1HSD17B2
SCHEMBL23558300 0.76 PPM1D (0.37) ACACBCNR1CNR2AKT1MMP13
SCHEMBL23558357 0.75 KDM4E (0.37) ACACBHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL30355583 0.73 NPC1 (0.47) CNR1CNR2MAPTKDM4ESMN1; SMN2
SCHEMBL23523733 0.73 NPC1 (0.47) CNR1CNR2MAPTKDM4ESMN1; SMN2
SCHEMBL23524409 0.72 HDAC4 (0.43) CNR1CNR2
SCHEMBL30355572 0.72 PLK1 (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30355597 0.72 HDAC4 (0.43) CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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 (1 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 ACACB 3779/4885CNR1 20/4885CNR2 38/4885

“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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