SCHEMBL7201705

SCHEMBL7201705

CC(C)(C)OC(=O)CN(Cc1ccccc1)C(=O)c1ccc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.40
CTSK P43235 1/20 0.40
AKT1 P31749 2/20 0.40

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
SCHEMBL7203749 0.82 TSHR (0.45) PKM
SCHEMBL19567145 0.77 CTSL (0.55) CTSSCTSLCTSBAKT1
SCHEMBL20187564 0.76 AKT1 (0.60) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL782348 0.75 AKT1 (0.55) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL6988751 0.75 ALOX5 (0.49) SMN1; SMN2PKM
SCHEMBL17384424 0.74 CTSL (0.50) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL6993125 0.74 TSHR (0.50) PKM
SCHEMBL19567152 0.73 CTSL (0.49) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL4743853 0.72 KMT2A (0.55) CTSSCTSLCTSBCTSK
SCHEMBL19567146 0.72 ALDH1A1 (0.53) CTSSCTSLCTSBAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656910-B2 Serine protease inhibitors CORTECH, INC. 2003-12-02 US disclosed
US-6656911-B2 Oxadiazole ring structure peptoids which are useful as inhibitors of serine proteases CORTECH, INC. 2003-12-02 US disclosed
US-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury CORTECH, INC. 2003-10-30 US disclosed
US-6608175-B2 Oxadiazole, thiadiazoles or triazole metal derivatives reacted with an amine containing aldehyde, deprotecting, coupling with an acid and oxidizing to create substituted oxadiazole, thiadiazole or triazole peptoids CORTECH, INC. 2003-08-19 US disclosed
US-20030060418-A1 Serine protease inhibitors CORTECH, INC. 2003-03-27 US disclosed
US-20020119998-A1 Serine protease inhibitors CORTECH, INC. 2002-08-29 US disclosed
US-20020119985-A1 Serine protease inhibitors CORTECH, INC. 2002-08-29 US disclosed
US-6150334-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE STRUCTURES WHICH ARE USEFUL AS INHIBITORS OF SERINE PROTEASES, INCLUDING HUMAN NEUTROPHIL ELASTASE CORTECH, INC. 2000-11-21 US disclosed
CN-1247542-A Serine protease inhibitors CORTECH INC (US) 2000-03-15 CN disclosed
US-6015791-A Serine protease inhibitors-cycloheptane derivatives CORTECH INC. (US) 2000-01-18 US disclosed
US-6001811-A TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPSIS, MULTIPLE ORGAN FAILURE CORTECH INC. (US) 1999-12-14 US disclosed
US-5998379-A USEFUL AS INHIBITORS OF SERINE PROTEASES, IN PARTICULAR HUMAN NEUTROPHIL ELASTASE, TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK, AND MYOCARDIAL ISCHEMIA-REPERFUSION INJURY CORTECH INC. (US) 1999-12-07 US disclosed
EP-0954526-A2 SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1999-11-10 EP disclosed
US-5891852-A Serine protease inhibitors-cycloheptane derivatives CORTECH, INC. (US) 1999-04-06 US disclosed
US-5869455-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS WHICH ARE USEFUL AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1999-02-09 US disclosed
US-5861380-A OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE; ADULT RESPIRATORY DISTRESS SYNDROME; ANTIARTHRITIC,-INFLAMMATORY,-ISCHEMIC,-TUMOR AND -CARCINOGENIC AGENTS AND OTHER HNE-MEDIATED CONDITIONS CORTECH, INC. (US) 1999-01-19 US disclosed
US-5807829-A RESPIRATORY SYSTEM DISORDERS; SESPIC SHOCK; ORGAN FAILURE CORTECH, INC. (US) 1998-09-15 US disclosed
US-5801148-A Serine protease inhibitors-proline analogs CORTECH, INC. (US) 1998-09-01 US disclosed
WO-1998024806-A2 SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-06-11 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-20020119985-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 CTSS 106/4885CTSL 130/4885CTSB 353/4885
US-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury TNNI3, PEPD, STK35 CTSS 535/4885CTSL 782/4885CTSB 1831/4885
US-20030060418-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 CTSS 106/4885CTSL 130/4885CTSB 353/4885
US-20020119998-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 CTSS 106/4885CTSL 130/4885CTSB 353/4885

“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.