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SCHEMBL10144970

SCHEMBL10144970

O=C(N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(C#Cc2cnc([C@@H]3CCCN3C(=O)[C@H](NC(=O)C3CC3)c3ccccc3)[nH]2)cc1)c1ccccc1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ PRCP P42785 5/20 0.39
▸ PPIB P23284 1/20 0.38
▸ PPIA P62937 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FKBP1A P62942 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ ACACB O00763 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
SCHEMBL12066415 0.95 PRCP (0.40) POLBTAAR1PRCPPPIBPPIA
SCHEMBL10144959 0.94 PPIB (0.43) POLBPRCPPPIBPPIAKCNH2
SCHEMBL15373176 0.90 KCNH2 (0.42) POLBTAAR1PRCPKCNH2CYP3A4
SCHEMBL10145587 0.90 ACACB (0.42) PRCPPPIBPPIAKCNH2CYP3A4
SCHEMBL10144944 0.88 KCNH2 (0.51) PRCPKCNH2CYP3A4MAPTCYP2C9
SCHEMBL12066414 0.88 KCNH2 (0.45) PRCPKCNH2CYP3A4CYP2C9ATM
SCHEMBL10144974 0.87 CYP3A4 (0.47) TAAR1KCNH2CYP3A4CYP2C9MEN1
SCHEMBL10144990 0.87 ACACB (0.48) KCNH2CYP3A4CYP2C9ACACB
SCHEMBL10144994 0.87 ACACB (0.48) KCNH2CYP3A4CYP2C9ACACB
SCHEMBL10144967 0.87 CMA1 (0.41) PRCPKCNH2CYP3A4CYP2C9

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 8 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-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 POLB 1454/4885TAAR1 4375/4885PRCP 298/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 POLB 1454/4885TAAR1 4375/4885PRCP 298/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 POLB 1454/4885TAAR1 4375/4885PRCP 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.