SCHEMBL7074497

SCHEMBL7074497

C[C](C)c1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 6/20 0.62
MAPK1 P28482 1/20 0.62
SRD5A2 P31213 1/20 0.55
MAPT P10636 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 2/20 0.54
POLB P06746 1/20 0.52
HPGD P15428 5/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAOB P27338 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 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
SCHEMBL14127316 0.87 POLB (0.67) MEN1KMT2AALDH1A1MAPTNPC1
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.83 KDM4E (0.71) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL3465063 0.83 MEN1 (0.69) MEN1KMT2AALDH1A1MAPK1SRD5A2
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.83 KDM4E (0.71) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL22745597 0.80 MEN1 (0.56) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL30848523 0.80 POLB (0.80) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL1463740 0.80 POLB (0.80) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL12745805 0.80 POLB (0.80) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL12930765 0.80 MEN1 (0.75) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL1463747 0.80 POLB (0.80) MEN1KMT2AALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176642-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors GYORKOS ALBERT (US) 2003-09-18 US claimed
CN-1399632-A Pyrimidine derivative, process for producing the same, and pharmaceutical containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2003-02-26 CN claimed
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP claimed
US-20020010315-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors GYORKOS ALBERT (US) 2002-01-24 US claimed
EP-1089752-A4 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC (US) 2002-01-02 EP claimed
US-6255453-B1 INHIBITORS OF HUMAN NEUTOPHIL ELASTASE; TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK, MULTIPLE ORGAN FAILURE, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, CYSTIC FIBROSIS; ANTIARTHRTITIC AGENTS CORTECH, INC. 2001-07-03 US claimed
EP-1089752-A1 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS Cortech Inc. (US) 2001-04-11 EP claimed
US-6001814-A TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPSISMULTIPLE ORGAN FAILURE CORTECH INC. (US) 1999-12-14 US claimed
WO-1999062538-A1 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC. (US) 1999-12-09 WO claimed
US-3952101-A BETA ADRENERGIC STIMULANT SMITHKLINE CORPORATION (US) 1976-04-20 US claimed
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-20030176642-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors GYORKOS ALBERT (US) 2003-09-18 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-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
WO-1998024806-A2 SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-06-11 WO disclosed
CN-88101155-A The preparation of benzo benzodioxole derivatives and application thereof 1988-09-28 CN disclosed
US-3952101-A BETA ADRENERGIC STIMULANT SMITHKLINE CORPORATION (US) 1976-04-20 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-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury TNNI3, PEPD, STK35 MEN1 4653/4885KMT2A 4854/4885ALDH1A1 3371/4885
US-20020010315-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors ELANE, SERPINB1, HPN MEN1 4506/4885KMT2A 3904/4885ALDH1A1 2403/4885
US-20030176642-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors ELANE, SERPINB1, HPN MEN1 4506/4885KMT2A 3904/4885ALDH1A1 2403/4885

“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.