SCHEMBL12765158

SCHEMBL12765158

CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)[C@@H](NCl)C1CCCCC1)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL12726025 0.94 ADORA3 (0.39) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL3646582 0.94 ELANE (0.40) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL12726026 0.94 ELANE (0.40) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL3646577 0.94 ELANE (0.40) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL12765179 0.93 ELANE (0.40) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL12726024 0.93 ELANE (0.43) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL3756690 0.90 ADORA3 (0.40) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL3756681 0.90 ADORA3 (0.40) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL12726234 0.89 ELANE (0.38) ELANEKCNH2ADORA3CHRM1TBXA2R
SCHEMBL12726027 0.89 ELANE (0.39) ELANEKCNH2ADORA3CHRM1TBXA2R

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-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 — — US disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 — — 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-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 ELANE 365/4885KCNH2 4628/4885ADORA3 4683/4885

“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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