SCHEMBL10144987

SCHEMBL10144987

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)c1ccccc1)c1ccc(C#Cc2cnc([C@@H]3CCCN3C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 10/20 0.43
KCNH2 Q12809 3/20 0.42
ELANE P08246 1/20 0.40
CYP3A4 P08684 6/20 0.39
CYP2C9 P11712 6/20 0.39
CYP2C19 P33261 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
ACACB O00763 1/20 0.39
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
OPRK1 P41145 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
SCHEMBL10144986 1.00 CMA1 (0.43) CMA1KCNH2ELANECYP3A4CYP2C9
SCHEMBL12067908 0.97 CMA1 (0.44) CMA1KCNH2ELANECYP3A4CYP2C9
SCHEMBL12067907 0.97 CMA1 (0.44) CMA1KCNH2ELANECYP3A4CYP2C9
SCHEMBL10145585 0.93 KCNH2 (0.45) CMA1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL10145041 0.92 KCNH2 (0.49) CMA1KCNH2ELANECYP3A4CYP2C9
SCHEMBL10145049 0.92 KCNH2 (0.49) CMA1KCNH2ELANECYP3A4CYP2C9
SCHEMBL10144939 0.92 KCNH2 (0.52) CMA1KCNH2ELANECYP3A4CYP2C9
SCHEMBL10144955 0.91 CMA1 (0.41) CMA1KCNH2ELANECYP3A4CYP2C9
SCHEMBL10144967 0.90 CMA1 (0.41) CMA1KCNH2ELANECYP3A4CYP2C9
SCHEMBL12067912 0.90 KCNH2 (0.52) CMA1KCNH2ELANECYP3A4CYP2C9

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-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 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 (3 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-20130296311-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CMA1 2523/4885KCNH2 4690/4885ELANE 2246/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CMA1 2523/4885KCNH2 4690/4885ELANE 2246/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CMA1 2523/4885KCNH2 4690/4885ELANE 2246/4885

“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.