SCHEMBL7118271

SCHEMBL7118271

COC(=O)C(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
SLC6A4 P31645 3/20 0.58
CYP3A4 P08684 3/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CYP2D6 P10635 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 1/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52

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
SCHEMBL2058611 0.84 CYP3A4 (0.61) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL7832563 0.84 CYP3A4 (0.57) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL3696409 0.84 TAAR1 (0.62) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL3691129 0.84 TAAR1 (0.62) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL30320284 0.84 TAAR1 (0.62) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL16356746 0.84 TAAR1 (0.62) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL3098519 0.84 TAAR1 (0.62) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL28561355 0.83 CYP3A4 (0.59) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL28561354 0.83 CYP3A4 (0.59) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL25987895 0.83 TAAR1 (0.59) TAAR1SLC6A4CYP3A4SLC6A2SLC6A3

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 8 patents. 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 disclosed
US-6548638-B2 Treatment or amelioration of symptoms of adult respiratory distress syndrome, septic shock, and multiple organ failure. CORTECH, INC. 2003-04-15 US disclosed
US-20020010315-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors GYORKOS ALBERT (US) 2002-01-24 US disclosed
EP-1089752-A4 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC (US) 2002-01-02 EP disclosed
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 disclosed
EP-1089752-A1 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS Cortech Inc. (US) 2001-04-11 EP disclosed
US-6001813-A Val-pro containing α-keto oxadiazoles as serine protease inhibitors CORTECH INC. (US) 1999-12-14 US disclosed
WO-1999062538-A1 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC. (US) 1999-12-09 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 (2 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-20020010315-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors ELANE, SERPINB1, HPN TAAR1 4800/4885SLC6A4 4264/4885CYP3A4 2734/4885
US-20030176642-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors ELANE, SERPINB1, HPN TAAR1 4800/4885SLC6A4 4264/4885CYP3A4 2734/4885

“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.