Sugi Predict

Sugi Predict / Compounds / SCHEMBL5774965

SCHEMBL5774965

SCHEMBL5774965

N#C[C@@H](N)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.48
▸ ANPEP P15144 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ MAOA P21397 3/20 0.40
▸ MAOB P27338 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39

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
SCHEMBL5758862 1.00 CTSC (0.48) CTSCANPEPERAP1ERAP2TAAR1
Hydrochloric Acid SCHEMBL5742275 0.98 CTSC (0.47) CTSCANPEPERAP1ERAP2TAAR1
Hydrochloric Acid SCHEMBL2915867 0.98 CTSC (0.47) CTSCANPEPERAP1ERAP2TAAR1
Hydrochloric Acid SCHEMBL3870394 0.98 CTSC (0.47) CTSCANPEPERAP1ERAP2TAAR1
SCHEMBL27703898 0.88 GRIK1 (0.46) CTSCANPEPERAP1ERAP2TAAR1
SCHEMBL24816047 0.85 S1PR2 (0.49) MAOAMAOB
SCHEMBL23177043 0.85 S1PR2 (0.49) MAOAMAOB
SCHEMBL3442133 0.80 TAAR1 (0.47) CTSCTAAR1MAOBSLC6A2SLC6A4
SCHEMBL17713409 0.80 TAAR1 (0.47) CTSCTAAR1HTR2AMAOAMAOB
SCHEMBL1029065 0.79 ANPEP (0.52) CTSCANPEPERAP1ERAP2TAAR1

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
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 — — US claimed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 — — EP disclosed
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 — — EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 — — WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 — — WO disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 — — US disclosed
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 — — US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 — — US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 — — US disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 — — US disclosed
CN-1362947-A N-cyanomethylamides as protease inhibitors AXYS PHARM INC (US) 2002-08-07 — — CN disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 — — US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 — — US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 — — EP disclosed
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 — — EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 — — 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSC 13/4885ANPEP 8/4885ERAP1 86/4885
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSC 13/4885ANPEP 291/4885ERAP1 49/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSC 13/4885ANPEP 291/4885ERAP1 49/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSC 13/4885ANPEP 42/4885ERAP1 102/4885

“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.