SCHEMBL7208823

SCHEMBL7208823

CC(C)[C@@H](NC(=O)CN1C(=NO)CS[C@H]1Cc1ccccc1)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.40
PRSS2 P07478 7/20 0.40
PRSS3 P35030 7/20 0.40
TPSAB1 Q15661 7/20 0.40
KMT2A Q03164 4/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 4/20 0.33

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
SCHEMBL8491074 0.82 PRSS1 (0.43) PRSS1PRSS2PRSS3TPSAB1KMT2A
SCHEMBL7499006 0.77 RAB9A (0.48) PRSS1PRSS2PRSS3TPSAB1KMT2A
SCHEMBL8495148 0.73 PRSS1 (0.40) PRSS1PRSS2PRSS3TPSAB1KMT2A
SCHEMBL8165421 0.72 KMT2A (0.43) PRSS1PRSS2PRSS3TPSAB1KMT2A
SCHEMBL7505093 0.70 PRSS1 (0.41) PRSS1PRSS2PRSS3TPSAB1KMT2A
SCHEMBL27537539 0.70 PRSS1 (0.41) PRSS1PRSS2PRSS3TPSAB1KMT2A
SCHEMBL8491451 0.69 ELANE (0.64) ELANE
SCHEMBL892526 0.69 KMT2A (0.47) PRSS1PRSS2PRSS3TPSAB1KMT2A
SCHEMBL7199926 0.68 ELANE (0.71) ELANE
SCHEMBL8189650 0.67 HDAC6 (0.38) PRSS1PRSS2PRSS3TPSAB1KMT2A

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 11 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

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 PRSS1 1/4885PRSS2 11/4885PRSS3 4/4885
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 PRSS1 19/4885PRSS2 64/4885PRSS3 5/4885
US-20030060418-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 PRSS1 1/4885PRSS2 11/4885PRSS3 4/4885
US-20020119998-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 PRSS1 1/4885PRSS2 11/4885PRSS3 4/4885

“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.