Sugi Predict

Sugi Predict / Compounds / SCHEMBL10145587

SCHEMBL10145587

SCHEMBL10145587

O=C(N[C@@H](C(=O)N1CCC[C@H]1c1ncc(C#Cc2ccc(C#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)C4CC4)c4ccccc4)[nH]3)cc2)[nH]1)c1ccccc1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 9/20 0.42
▸ KCNH2 Q12809 3/20 0.41
▸ PRCP P42785 1/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PREP P48147 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ PPIB P23284 1/20 0.38
▸ PPIA P62937 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL10144910 0.94 KCNH2 (0.49) KCNH2PRCPNR1I2ABCB11CYP3A4
SCHEMBL10144856 0.94 KCNH2 (0.51) KCNH2PRCPNR1I2ABCB11CYP3A4
SCHEMBL15260616 0.92 KCNH2 (0.40) ACACBKCNH2PRCPNR1I2ABCB11
SCHEMBL10144944 0.92 KCNH2 (0.51) ACACBKCNH2PRCPNR1I2ABCB11
SCHEMBL15261290 0.92 PRCP (0.44) ACACBKCNH2PRCPNR1I2ABCB11
SCHEMBL10144990 0.91 ACACB (0.48) ACACBKCNH2CYP3A4CYP2C9
SCHEMBL10144994 0.91 ACACB (0.48) ACACBKCNH2CYP3A4CYP2C9
SCHEMBL10145601 0.90 KCNH2 (0.43) ACACBKCNH2PRCPNR1I2ABCB11
SCHEMBL10144959 0.90 PPIB (0.43) ACACBKCNH2PRCPCYP3A4CYP2C9
SCHEMBL10144803 0.90 KCNH2 (0.52) KCNH2PRCPNR1I2ABCB11CYP3A4

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 ACACB 188/4885KCNH2 4690/4885PRCP 298/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ACACB 188/4885KCNH2 4690/4885PRCP 298/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ACACB 188/4885KCNH2 4690/4885PRCP 298/4885

“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.