Sugi Predict

Sugi Predict / Compounds / SCHEMBL2396880

SCHEMBL2396880

SCHEMBL2396880

O=C(N[C@@H](Cc1c(F)cccc1F)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.56
▸ ITGA2B P08514 6/20 0.56
▸ TACR1 P25103 2/20 0.52
▸ MME P08473 1/20 0.52
▸ ECE1 P42892 1/20 0.52
▸ CTRB1 P17538 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ PPARG P37231 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL2396878 1.00 ITGB3 (0.56) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL2396973 0.90 ALDH1A1 (0.57) TACR1CTRB1CTSKCTSLCTSB
SCHEMBL2396971 0.90 ALDH1A1 (0.57) TACR1CTRB1CTSKCTSLCTSB
SCHEMBL7447800 0.88 ITGB3 (0.54) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL7444291 0.87 ITGB3 (0.56) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL14438411 0.87 ITGB3 (0.56) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL219151 0.84 TACR1 (0.68) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL7372270 0.84 TACR1 (0.68) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL479010 0.84 TACR1 (0.68) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL220648 0.84 TACR1 (0.68) ITGB3ITGA2BTACR1MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 — — EP disclosed
US-8013186-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 — — US disclosed
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 — — US disclosed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 — — US disclosed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 — — US disclosed
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors VIROBAY, INC. (US) 2009-01-22 — — US disclosed
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-05-15 — — US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 — — US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 — — EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 — — US disclosed
EP-1663958-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 — — EP disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 — — US disclosed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 — — EP disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 — — US disclosed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 — — WO disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 — — EP disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 — — WO disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 — — US disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 — — WO disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 — — 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-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE ITGB3 4115/4885ITGA2B 3916/4885TACR1 711/4885
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS ITGB3 3816/4885ITGA2B 3438/4885TACR1 520/4885
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE ITGB3 4115/4885ITGA2B 3916/4885TACR1 711/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB ITGB3 3655/4885ITGA2B 3010/4885TACR1 495/4885
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors SPINT2, PREP, CPN1 ITGB3 4087/4885ITGA2B 4004/4885TACR1 1783/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS ITGB3 4177/4885ITGA2B 3748/4885TACR1 357/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE ITGB3 4115/4885ITGA2B 3916/4885TACR1 711/4885

“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.