SCHEMBL24848890

SCHEMBL24848890

COC(=O)C1(c2ccnc(S(C)(=O)=O)n2)CCC(OC)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.33
▸ CD38 P28907 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK8 P45983 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ CTPS1 P17812 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL22758543 0.87 NPSR1 (0.33) PDE4BCYP2C19CTPS1
SCHEMBL21392084 0.83 CYP3A4 (0.41) PDE4BCYP2C19CTPS1
SCHEMBL22758542 0.82 CTPS1 (0.33) PDE4BCTPS1
SCHEMBL22762471 0.81 L3MBTL1 (0.34) PDE4BCYP2C19
SCHEMBL22762263 0.80 CTPS1 (0.48) CTPS1
SCHEMBL24849318 0.80 FFAR4 (0.34) PDE4BCD38CYP2D6CYP2B6CYP2C19
SCHEMBL24849581 0.77 MMP2 (0.33) PDE4BCYP2C19
SCHEMBL21373839 0.71 CTPS1 (0.49) CTPS1
SCHEMBL21373841 0.69 TRPV1 (0.36) —
SCHEMBL21373873 0.69 CTPS1 (0.50) CTPS1

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-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-19 — — US disclosed
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-05 — — 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-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS PDE4B 2860/4885CD38 780/4885CYP2D6 2116/4885
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS PDE4B 2745/4885CD38 882/4885CYP2D6 1852/4885

“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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