SCHEMBL2010758

SCHEMBL2010758

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.63
▸ FKBP1A P62942 9/20 0.60
▸ CYP3A4 P08684 6/20 0.58
▸ CYP2C9 P11712 5/20 0.58
▸ CYP2C19 P33261 5/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ ACE P12821 1/20 0.50
▸ PREP P48147 3/20 0.49

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
SCHEMBL6438375 1.00 KCNH2 (0.63) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL2010759 1.00 KCNH2 (0.63) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL7428228 1.00 KCNH2 (0.63) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL2010756 1.00 KCNH2 (0.63) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL2049939 1.00 KCNH2 (0.63) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL1995962 0.92 CYP3A4 (0.56) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL1995966 0.92 CYP3A4 (0.56) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL1995964 0.92 CYP3A4 (0.56) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL18620864 0.92 CYP3A4 (0.68) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL1991961 0.90 CTSL (0.55) KCNH2FKBP1ACYP3A4CYP2C9CYP2C19

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 15 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
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
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
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
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 — — US disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 — — EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 — — US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 — — US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 — — US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 — — US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 — — US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 — — EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 — — 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 (4 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 KCNH2 4080/4885FKBP1A 1317/4885CYP3A4 29/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 KCNH2 4080/4885FKBP1A 1317/4885CYP3A4 29/4885
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 KCNH2 2897/4885FKBP1A 895/4885CYP3A4 60/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 KCNH2 413/4885FKBP1A 2551/4885CYP3A4 62/4885

“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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