SCHEMBL23558300

SCHEMBL23558300

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc5[nH]c(=O)oc5c4)co3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPM1D O15297 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ AKT3 Q9Y243 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ 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
SCHEMBL23524057 0.85 PDE3B (0.37) PPM1DPDE3BPDE3ACDC7CCNE1
SCHEMBL30355665 0.85 PDE3B (0.37) PPM1DPDE3BPDE3ACDC7CCNE1
SCHEMBL23558336 0.83 CNR1 (0.35) ACACBCNR1CNR2MMP13
SCHEMBL25863741 0.76 ACACB (0.37) ACACBCNR1CNR2AKT1MMP13
SCHEMBL25856816 0.76 ACACB (0.35) ACACBCNR1CNR2AKT1
SCHEMBL23524187 0.70 S1PR1 (0.38) CNR1CNR2
SCHEMBL30355748 0.70 S1PR1 (0.38) CNR1CNR2
SCHEMBL23558458 0.69 MMP13 (0.40) ACACBMMP13
SCHEMBL23524213 0.68 PPARA (0.38) CNR1CNR2
SCHEMBL23558357 0.68 KDM4E (0.37) ACACBMMP13

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (2 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 PPM1D 1370/4885PDE3B 359/4885PDE3A 362/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PPM1D 1370/4885PDE3B 359/4885PDE3A 362/4885

“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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