SCHEMBL13617062

SCHEMBL13617062

COc1ccc(N[C@H]2CCCCC/C=C\[C@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4ncc(OC)c5ccc(Cl)cc45)CN3C2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CYP3A4 P08684 4/20 0.42
▸ CTSB P07858 1/20 0.42
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ ROCK2 O75116 1/20 0.31

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
SCHEMBL13617069 0.92 ADRB3 (0.48) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL13617067 0.89 ADRB3 (0.43) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL8001496 0.88 CTSB (0.47) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL12792589 0.84 CYP3A4 (0.51) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL13617100 0.83 ADRB3 (0.45) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL14913795 0.82 CYP3A4 (0.52) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL14913646 0.82 CYP3A4 (0.52) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL14913642 0.82 CYP3A4 (0.52) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL14913794 0.82 CYP3A4 (0.52) ELANEKCNH2CYP3A4CTSBADRB3
SCHEMBL18142841 0.80 CYP3A4 (0.59) ELANEKCNH2CYP3A4CTSBADRB3

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-20090285773-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 — — US disclosed
US-20090285773-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 — — 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-20090285773-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ELANE 1285/4885KCNH2 3734/4885CYP3A4 379/4885

“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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