SCHEMBL12468544

SCHEMBL12468544

C=C1CCCCCC/C=C\[C@@H]2N(S(=O)(=O)C3CC3)C(=O)[C@]2(C)NC(=O)[C@@H]2CCCN12

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ MAP2K1 Q02750 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
SCHEMBL12468517 0.91 PSMB9 (0.31) —
SCHEMBL12468440 0.91 PSMB9 (0.31) —
SCHEMBL12468450 0.77 ALDH1A1 (0.32) —
SCHEMBL12467655 0.66 PSMB9 (0.32) —
SCHEMBL12468463 0.66 PSMB9 (0.32) —
SCHEMBL12468475 0.64 PSMB9 (0.34) —
SCHEMBL7914476 0.62 CTSB (0.41) —
SCHEMBL8249221 0.62 CTSB (0.41) —
SCHEMBL15509452 0.62 CTSB (0.41) —
SCHEMBL15509453 0.62 CTSB (0.41) —

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-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 — — 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN CHEK1 3644/4885PARP1 2557/4885MAP2K1 3489/4885

“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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