SCHEMBL16282930

SCHEMBL16282930

COC(=O)NC(C(=O)N1CC=CC1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2)c[nH]1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.54
CYP2C9 P11712 5/20 0.52
KCNH2 Q12809 3/20 0.51
NR1I2 O75469 2/20 0.51
ABCB11 O95342 1/20 0.51
OPRK1 P41145 1/20 0.51
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL16282903 1.00 CYP3A4 (0.54) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL17751540 1.00 CYP3A4 (0.54) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19620064 1.00 CYP3A4 (0.54) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16282927 1.00 CYP3A4 (0.54) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16282901 1.00 CYP3A4 (0.54) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19620065 1.00 CYP3A4 (0.54) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL17751539 1.00 CYP3A4 (0.54) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16282925 0.95 KCNH2 (0.50) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL17751541 0.95 KCNH2 (0.50) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16282902 0.95 KCNH2 (0.50) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153515-A1 COMPOUNDS FOR INHIBITING HEPATITIS C VIRUS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AB Pharma Ltd (CN) 2017-04-12 EP disclosed
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2016-05-19 US disclosed
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2016-05-19 US disclosed
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2014-12-11 US disclosed
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2014-12-11 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-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 CYP3A4 809/4885CYP2C9 1423/4885KCNH2 4178/4885
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 CYP3A4 809/4885CYP2C9 1423/4885KCNH2 4178/4885

“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.