SCHEMBL1101673

SCHEMBL1101673

C=CC1C[C@]1(N)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATM Q13315 1/20 0.34
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
TRPA1 O75762 1/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.30
ELANE P08246 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2975294 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL374987 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL3799193 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL374714 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL375078 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL12463720 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
SCHEMBL3690265 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
Hydrochloric Acid SCHEMBL9985470 0.98 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
Hydrochloric Acid SCHEMBL374713 0.98 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15
Hydrochloric Acid SCHEMBL6117198 0.98 ALDH1A1 (0.35) ALDH1A1NPSR1ATMGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 EP disclosed
US-8765667-B2 HCV protease inhibitors EISSENSTAT MICHAEL (US) 2014-07-01 US disclosed
US-8765667-B2 HCV protease inhibitors EISSENSTAT MICHAEL (US) 2014-07-01 US disclosed
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
US-8153800-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-10 US disclosed
US-20070078081-A1 Antiviral compounds GILEAD SCIENCES, INC. 2007-04-05 US disclosed
US-20070078081-A1 Antiviral compounds GILEAD SCIENCES, INC. 2007-04-05 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO disclosed
WO-2007011658-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-25 WO disclosed
WO-2007001406-A2 ARYL-CONTAINING MACROCYCLIC COMPOUNDS CHIRON CORPORATION (US) 2007-01-04 WO disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 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-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ALDH1A1 840/4885NPSR1 361/4885ATM 4702/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS ALDH1A1 2539/4885NPSR1 4812/4885ATM 3577/4885
US-20070078081-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3036/4885NPSR1 4443/4885ATM 4420/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ALDH1A1 2539/4885NPSR1 4812/4885ATM 3577/4885

“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.