SCHEMBL1995124

SCHEMBL1995124

CC(C)(C)OC(=O)N[C@H]([C]=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.56
CTSS P25774 7/20 0.56
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL1992447 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL1992449 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL11086941 0.86 CTSS (0.47) CTSKCTSSCTSLCTSBATM
SCHEMBL3186812 0.86 CTSS (0.61) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL5742936 0.86 CTSS (0.61) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL5740500 0.86 CTSS (0.61) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL1998569 0.83 KMT2A (0.47) MAPTATM
SCHEMBL1998567 0.83 KMT2A (0.47) MAPTATM
SCHEMBL7273399 0.83 GABRB1 (0.52) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL11852061 0.82 CTSS (0.45) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4614797-A Cephalosporin hydroxamic acids SHIONOGI & CO., LTD. (JP) 1986-09-30 US claimed
US-10654807-B2 Toll-like receptor 8 agonists THE UNIVERSITY OF KANSAS (US) 2020-05-19 US disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160347715-A1 Toll-Like Receptor 8 Agonists THE UNIVERSITY OF KANSAS 2016-12-01 US disclosed
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS INC. (US) 2016-08-11 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 US disclosed
WO-2015095780-A1 TOLL-LIKE RECEPTOR 8 AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-06-25 WO disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO 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
CN-102822175-A 5, 5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS INC (US) 2012-12-12 CN 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
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
EP-0738265-A1 TAXANE DERIVATIVES PHARMACIA S.p.A. (IT) 1996-10-23 EP disclosed
WO-1996014308-A1 TAXANE DERIVATIVES PHARMACIA S.P.A. (IT) 1996-05-17 WO disclosed
EP-0675899-A4 NOVEL INHIBITORS OF FACTOR Xa. CORVAS INT INC (US) 1996-01-24 EP disclosed
EP-0675899-A1 NOVEL INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1995-10-11 EP disclosed
WO-1994013693-A1 NOVEL INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1994-06-23 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 (8 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 CTSK 749/4885CTSS 1244/4885CTSL 1425/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 CTSK 4461/4885CTSS 3941/4885CTSL 3134/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 CTSK 4673/4885CTSS 4320/4885CTSL 3343/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 CTSK 749/4885CTSS 1244/4885CTSL 1425/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 CTSK 4673/4885CTSS 4320/4885CTSL 3343/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 CTSK 4461/4885CTSS 3941/4885CTSL 3134/4885
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 CTSK 305/4885CTSS 948/4885CTSL 648/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB CTSK 2332/4885CTSS 2878/4885CTSL 1620/4885

“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.