SCHEMBL1995962

SCHEMBL1995962

CCOC(=O)NC(C(=O)N1CCCC1C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ FKBP1A P62942 9/20 0.55
▸ KCNH2 Q12809 1/20 0.54
▸ ACE P12821 2/20 0.51
▸ CYP2C9 P11712 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ PREP P48147 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ MMEL1 Q495T6 1/20 0.48

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
SCHEMBL1995966 1.00 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL1995964 1.00 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL2010758 0.92 KCNH2 (0.63) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL2049939 0.92 KCNH2 (0.63) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL7428228 0.92 KCNH2 (0.63) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL6438375 0.92 KCNH2 (0.63) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL2010756 0.92 KCNH2 (0.63) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL2010759 0.92 KCNH2 (0.63) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL18620864 0.90 CYP3A4 (0.68) CYP3A4ALDH1A1TSHRFKBP1AKCNH2
SCHEMBL7421504 0.90 KCNH2 (0.60) CYP3A4ALDH1A1TSHRFKBP1AKCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513113-B1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS LLC (US) 2018-08-01 — — EP disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 — — US disclosed
EP-2691093-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX Pharmaceuticals, Inc. (US) 2014-02-05 — — EP disclosed
US-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 — — US disclosed
EP-2513113-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-10-24 — — EP disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 — — US disclosed
WO-2012135581-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 — — WO disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 — — US disclosed
WO-2011075615-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 — — 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-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 CYP3A4 29/4885ALDH1A1 171/4885TSHR 4049/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 CYP3A4 29/4885ALDH1A1 171/4885TSHR 4049/4885
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR HAVCR2, CYP3A5, CYP7A1 CYP3A4 60/4885ALDH1A1 161/4885TSHR 3923/4885

“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.

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