SCHEMBL1200550

SCHEMBL1200550

N#CC1(NC(=O)[C@H](CC(F)(F)c2ccccc2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.69
CTSS P25774 9/20 0.67
CTSB P07858 7/20 0.67
CTSK P43235 6/20 0.67

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
SCHEMBL1200551 1.00 CTSL (0.69) CTSLCTSSCTSBCTSK
SCHEMBL2193354 0.90 CTSL (0.67) CTSLCTSSCTSBCTSK
SCHEMBL2193347 0.90 CTSL (0.67) CTSLCTSSCTSBCTSK
SCHEMBL12417812 0.89 CTSL (0.60) CTSLCTSSCTSBCTSK
SCHEMBL2191267 0.87 CTSL (0.69) CTSLCTSSCTSBCTSK
SCHEMBL1200231 0.87 CTSL (0.69) CTSLCTSSCTSBCTSK
SCHEMBL2100501 0.86 CTSL (0.66) CTSLCTSSCTSBCTSK
SCHEMBL2100502 0.86 CTSL (0.66) CTSLCTSSCTSBCTSK
SCHEMBL2155588 0.85 CTSK (0.82) CTSLCTSSCTSBCTSK
SCHEMBL1199239 0.84 CTSL (0.74) CTSLCTSSCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079683-B1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-01-21 EP claimed
US-7781487-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-08-24 US claimed
EP-2079683-B1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-01-21 EP disclosed
US-20140221478-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2014-08-07 US disclosed
US-20140221478-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2014-08-07 US disclosed
US-8748649-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2014-06-10 US disclosed
US-8748649-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2014-06-10 US disclosed
US-20140018421-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2014-01-16 US disclosed
US-20140018421-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2014-01-16 US disclosed
US-8367732-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-02-05 US disclosed
US-8367732-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-02-05 US disclosed
US-7893112-B2 N-(1-cyanocyclopropyl)-4,4-difluoro-2(S)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino)octamide; rheumatoid arthritis, multiple sclerosis, myasthenia gravis, psoriasis, pemphigus vulgaris, Graves' disease, myasthenia gravis, lupus, asthma, pain, atherosclerosis; cathepsins B, K, L, F, and S inhibitors VIROBAY, INC. (US) 2011-02-22 US disclosed
US-7893112-B2 N-(1-cyanocyclopropyl)-4,4-difluoro-2(S)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino)octamide; rheumatoid arthritis, multiple sclerosis, myasthenia gravis, psoriasis, pemphigus vulgaris, Graves' disease, myasthenia gravis, lupus, asthma, pain, atherosclerosis; cathepsins B, K, L, F, and S inhibitors VIROBAY, INC. (US) 2011-02-22 US disclosed
US-7893112-B2 N-(1-cyanocyclopropyl)-4,4-difluoro-2(S)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino)octamide; rheumatoid arthritis, multiple sclerosis, myasthenia gravis, psoriasis, pemphigus vulgaris, Graves' disease, myasthenia gravis, lupus, asthma, pain, atherosclerosis; cathepsins B, K, L, F, and S inhibitors VIROBAY, INC. (US) 2011-02-22 US disclosed
EP-2262370-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Virobay, Inc. (US) 2010-12-22 EP disclosed
WO-2009123623-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-10-08 WO disclosed
WO-2009123623-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-10-08 WO disclosed
US-20080293819-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2008-11-27 US disclosed
US-20080293819-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2008-11-27 US disclosed
US-20080293819-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2008-11-27 US 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-20080293819-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSF, CTSZ, CTSS CTSL 10/4885CTSS 3/4885CTSB 4/4885
US-20140221478-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSF, CTSZ, CTSS CTSL 10/4885CTSS 3/4885CTSB 4/4885
US-20140018421-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSF, CTSZ, CTSS CTSL 10/4885CTSS 3/4885CTSB 4/4885

“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.