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SCHEMBL10144959

SCHEMBL10144959

O=C(N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#Cc2cnc([C@@H]3CCCN3C(=O)[C@H](NC(=O)C3CC3)c3ccccc3)[nH]2)cc1)c1ccccc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 1/20 0.43
▸ PPIA P62937 1/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ACACB O00763 3/20 0.40
▸ PRCP P42785 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ F2 P00734 3/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ FKBP1A P62942 1/20 0.38

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
SCHEMBL10144970 0.94 POLB (0.41) PPIBPPIACYP3A4CYP2C9ACACB
SCHEMBL10145128 0.92 KCNH2 (0.47) PPIBPPIACYP3A4CYP2C9PRCP
SCHEMBL10145587 0.90 ACACB (0.42) PPIBPPIACYP3A4CYP2C9ACACB
SCHEMBL12069045 0.90 KCNH2 (0.42) PPIBPPIACYP3A4CYP2C9PKM
SCHEMBL10144944 0.89 KCNH2 (0.51) CYP3A4CYP2C9CYP2C19ALDH1A1ACACB
SCHEMBL12066415 0.89 PRCP (0.40) PPIBPPIACYP3A4CYP2C9ACACB
SCHEMBL16441317 0.88 KCNH2 (0.44) PPIBPPIACYP3A4CYP2C9PRCP
SCHEMBL10144994 0.88 ACACB (0.48) CYP3A4CYP2C9CYP2C19ACACBKCNH2
SCHEMBL10144990 0.88 ACACB (0.48) CYP3A4CYP2C9CYP2C19ACACBKCNH2
SCHEMBL10144965 0.87 CYP3A4 (0.48) CYP3A4CYP2C9ACACBF2KCNH2

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 9 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-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-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-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
WO-2011150243-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 — — WO disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 — — WO 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 PPIB 1178/4885PPIA 1330/4885CYP3A4 2538/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PPIB 1178/4885PPIA 1330/4885CYP3A4 2538/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PPIB 1178/4885PPIA 1330/4885CYP3A4 2538/4885

“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.