SCHEMBL16284201

SCHEMBL16284201

COC(=O)N[C@H](C(=O)N1CC=C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CN(S(C)(=O)=O)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.59
CYP2C9 P11712 6/20 0.59
KCNH2 Q12809 3/20 0.59
NR1I2 O75469 2/20 0.59
ABCB11 O95342 1/20 0.59
OPRK1 P41145 1/20 0.59
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 2/20 0.53
F11 P03951 3/20 0.41
F2 P00734 1/20 0.41
PRCP P42785 1/20 0.32

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
SCHEMBL19620135 0.94 CYP3A4 (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19619959 0.93 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16284266 0.93 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16284251 0.93 CYP3A4 (0.60) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18727174 0.92 CYP3A4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16284229 0.89 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19619843 0.89 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12328454 0.88 CYP3A4 (0.68) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19619958 0.88 CYP3A4 (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19619839 0.88 CYP3A4 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9820972-B2 Antiviral compounds highly effective as HCV-NS5A inhibitor AB Pharma Ltd. (CN) 2017-11-21 US disclosed
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2016-05-19 US disclosed
US-9334291-B2 Antiviral compounds highly effective as HCV-NS5A inhibitor AB Pharma Ltd. (CN) 2016-05-10 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.