SCHEMBL7202796

SCHEMBL7202796

O=C(O)CN1C(=O)CNC1=O.c1cc2cc-2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 1/20 0.39
LMNA P02545 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
SCHEMBL4597653 0.85 TSHR (1.00) TSHRGSK3AGSK3BALDH1A1CA12
SCHEMBL9698792 0.72 TSHR (0.57) TSHRGSK3AGSK3BALDH1A1CA12
SCHEMBL12177294 0.71 ALDH1A1 (0.69) TSHRGSK3AGSK3BALDH1A1POLB
SCHEMBL16190011 0.71 TSHR (0.55) TSHRMEN1CYP1A2ALOX15KMT2A
SCHEMBL11022512 0.69 TSHR (0.69) TSHRGSK3AGSK3BALDH1A1CA12
SCHEMBL9212290 0.69 TSHR (0.69) TSHRGSK3AGSK3BALDH1A1CA12
SCHEMBL6283032 0.69 GSK3A (0.56) TSHRGSK3AGSK3BALDH1A1POLB
SCHEMBL13629854 0.69 TSHR (0.68) TSHRGSK3AGSK3BALDH1A1POLB
SCHEMBL11020365 0.67 TSHR (0.66) TSHRGSK3AGSK3BALDH1A1SMN1; SMN2
SCHEMBL3318940 0.66 GSK3A (1.00) TSHRGSK3AGSK3BALDH1A1SMN1; SMN2

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 18 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
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 TSHR 3616/4885GSK3A 767/4885GSK3B 453/4885
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 TSHR 2856/4885GSK3A 642/4885GSK3B 329/4885
US-20030060418-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 TSHR 3616/4885GSK3A 767/4885GSK3B 453/4885
US-20020119998-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 TSHR 3616/4885GSK3A 767/4885GSK3B 453/4885

“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.