SCHEMBL24849318

SCHEMBL24849318

COC(=O)C1(c2ccnc(SC)n2)CCC(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CD38 P28907 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDE4B Q07343 2/20 0.32
▸ MAPK8 P45983 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ BACE1 P56817 3/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ BDKRB1 P46663 1/20 0.30
▸ DYRK1A Q13627 2/20 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
SCHEMBL22758510 0.86 FFAR4 (0.36) FFAR4PIK3CACCNT1CCNA2CDK2
SCHEMBL21392151 0.83 FFAR4 (0.37) FFAR4CYP2C19PDE4BPIK3CAMAPK14
SCHEMBL22758512 0.83 FFAR4 (0.35) FFAR4PIK3CACCNT1CCNA2CDK2
SCHEMBL24848905 0.81 FFAR4 (0.34) FFAR4PDE4BPIK3CACCNT1CCNA2
SCHEMBL24848890 0.80 PDE4B (0.33) CD38CYP2D6CYP2B6CYP2C19PDE4B
SCHEMBL22762263 0.77 CTPS1 (0.48) —
SCHEMBL24895767 0.76 FFAR4 (0.34) FFAR4PDE4BPIK3CACCNT1CCNA2
SCHEMBL28944831 0.76 ATM (0.42) CCNA2CDK2
SCHEMBL21373841 0.72 TRPV1 (0.36) —
SCHEMBL22749259 0.71 OPRM1 (0.52) FFAR4

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 FFAR4 4658/4885CD38 780/4885CYP2D6 2116/4885
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS FFAR4 4659/4885CD38 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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