Sugi Predict

Sugi Predict / Compounds / SCHEMBL313100

SCHEMBL313100

SCHEMBL313100

COc1ccc2c(O)cc(-c3nc(C(C)C)cs3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A1 P04798 3/20 0.38
▸ CYP1B1 Q16678 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP4B1 P13584 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38
▸ CYP2A7 P20853 1/20 0.38
▸ CYP3A7 P24462 1/20 0.38
▸ CYP2F1 P24903 1/20 0.38
▸ CYP2C18 P33260 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
SCHEMBL12362342 0.87 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1CYP1A1CYP1B1
SCHEMBL8244066 0.87 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2ALDH1A1CYP1A1CYP1B1
SCHEMBL15216084 0.86 ACHE (0.40) KDM4ESMN1; SMN2ALDH1A1CYP1A1CYP1B1
SCHEMBL995659 0.86 CYP1A2 (0.39) KDM4ESMN1; SMN2ALDH1A1CYP1A1CYP1B1
SCHEMBL3478856 0.85 TACR3 (0.40) KDM4ESMN1; SMN2ALDH1A1CYP1A1CYP1B1
SCHEMBL2871319 0.84 CYP19A1 (0.40) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A1
SCHEMBL2384021 0.84 CYP1A1 (0.39) CYP19A1KDM4ESMN1; SMN2ALDH1A1CYP1A1
SCHEMBL11941739 0.84 CYP19A1 (0.36) CYP19A1KDM4EALDH1A1MAPTPOLB
SCHEMBL3427491 0.84 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1CYP1A1CYP1B1
SCHEMBL3429850 0.84 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2ALDH1A1CYP1A1CYP1B1

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 — — US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 — — US disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 — — US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 — — EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 — — US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 — — US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
CN-101233137-B Macrocylic inhibitors of hepatitis c virus TIBOTEC PHARM LTD 2014-05-07 — — CN disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
EP-1437362-A1 Macrocyclic peptides inhibiting the hepatitis C virus ns3 protease BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-07-14 — — EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — WO disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 — — US disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 — — US disclosed
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-01-01 — — US disclosed
US-6608027-B1 Macrocyclic small peptides of low molecular weight that are inhibitory to NS3 protease of hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2003-08-19 — — US disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — WO disclosed
EP-1169339-A1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-09 — — EP disclosed
WO-2000059929-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-10-12 — — 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 (7 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-20040038872-A1 Inhibitors of hepatitis C virus HAVCR2, LIPC, ZC3HAV1 CYP19A1 3785/4885KDM4E 3631/4885SMN1; SMN2 4699/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CYP19A1 4384/4885KDM4E 4633/4885SMN1; SMN2 3361/4885
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus VIP, FURIN, RNASE1 CYP19A1 1507/4885KDM4E 3584/4885SMN1; SMN2 2976/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 CYP19A1 4384/4885KDM4E 4633/4885SMN1; SMN2 3361/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP CYP19A1 4084/4885KDM4E 4299/4885SMN1; SMN2 4827/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP19A1 4579/4885KDM4E 2496/4885SMN1; SMN2 1564/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP19A1 4579/4885KDM4E 2496/4885SMN1; SMN2 1564/4885

“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.