SCHEMBL14318518

SCHEMBL14318518

C=CC(C)CCC[C@@H](C)C(NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTSK P43235 9/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.39
▸ CTSL P07711 1/20 0.38

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
SCHEMBL14248067 0.86 CTSK (0.42) CTSKCTSSCTSL
SCHEMBL14248139 0.86 CTSK (0.42) CTSKCTSSCTSL
SCHEMBL14317721 0.85 SMN1; SMN2 (0.45) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL15005809 0.82 CTSK (0.37) CTSKCTSSPSENEN
SCHEMBL8466502 0.79 CTSS (0.59) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL8466501 0.79 CTSS (0.59) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL13830117 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL15672734 0.76 SMN1; SMN2 (0.50) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL2721327 0.75 CTSK (0.55) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9
SCHEMBL13956771 0.75 CTSK (0.55) SMN1; SMN2CTSKCTSSCYP1A2CYP2C9

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
EP-2721053-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 — — US disclosed
WO-2012173983-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-20 — — WO 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-20130142754-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 SMN1; SMN2 4455/4885CTSK 945/4885CTSS 1082/4885

“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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