SCHEMBL25856458

SCHEMBL25856458

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cccc(NS(C)(=O)=O)c4)no3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.41
▸ ABL1 P00519 3/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ADRA1D P25100 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30355466 0.91 KCNH2 (0.40) ADRA1DMAPTCYP1A2CYP3A4KCNH2
SCHEMBL23524045 0.91 KCNH2 (0.40) ADRA1DMAPTCYP1A2CYP3A4KCNH2
SCHEMBL30355492 0.89 S1PR1 (0.36) ADRA1DKCNH2
SCHEMBL23523882 0.89 S1PR1 (0.36) ADRA1DKCNH2
SCHEMBL30355402 0.85 GSK3B (0.39) ADRA1D
SCHEMBL23524446 0.85 GSK3B (0.39) ADRA1D
SCHEMBL23523962 0.85 ADRA1D (0.40) CA2ADRA1DALDH1A1KCNH2SMN1; SMN2
SCHEMBL30355791 0.85 ADRA1D (0.40) CA2ADRA1DALDH1A1KCNH2SMN1; SMN2
SCHEMBL30355549 0.84 GAA (0.54) TP53POLBMAPTCYP1A2CYP3A4
SCHEMBL23524132 0.84 GAA (0.54) TP53POLBMAPTCYP1A2CYP3A4

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 2 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

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 TDP2 2869/4885ABL1 1585/4885CA2 3359/4885

“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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