SCHEMBL4974719

SCHEMBL4974719

CC(C)(C)C(CC(=O)O)[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.54
▸ CTSL P07711 4/20 0.49
▸ CTSS P25774 4/20 0.49
▸ CTSB P07858 3/20 0.49
▸ CASP1 P29466 3/20 0.49
▸ CTSK P43235 1/20 0.49
▸ SYK P43405 1/20 0.48
▸ ELANE P08246 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CTRB1 P17538 2/20 0.47
▸ ECE1 P42892 1/20 0.47

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
SCHEMBL4844148 0.85 CTSL (0.47) CTSLCTSSCTSBCTSKSYK
SCHEMBL3221956 0.83 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL7373971 0.83 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL2580714 0.83 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL3221965 0.83 CTSL (0.52) CTSLCTSSCTSBCTSKSYK
SCHEMBL19827398 0.83 CTSL (0.56) CASP3CTSLCTSSCTSBCASP1
SCHEMBL2978398 0.82 CTSL (0.63) CASP3CTSLCTSSCTSBCASP1
SCHEMBL1287168 0.82 CTSL (0.63) CASP3CTSLCTSSCTSBCASP1
SCHEMBL8671882 0.82 CTSL (0.63) CASP3CTSLCTSSCTSBCASP1
SCHEMBL220569 0.82 CTSL (0.63) CASP3CTSLCTSSCTSBCASP1

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
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 — — EP disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 — — WO disclosed
EP-1434763-B1 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS AZEVAN PHARMACEUTICALS INC (US) 2018-01-17 — — EP disclosed
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-05-15 — — US disclosed
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-04-17 — — US disclosed
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use KOPPEL GARY A 2008-02-07 — — US disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 — — US disclosed
WO-2005035492-A1 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS SERENIX PHARMACEUTICALS, LLC. (US) 2005-04-21 — — WO disclosed
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AZEVAN PHARMACEUTICALS, INC. 2004-12-30 — — US disclosed
EP-1434763-A2 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS Serenix Pharmaceuticals, LLC (US) 2004-07-07 — — EP disclosed
WO-2003031407-A2 β-LACTAMYL VASOPRESSIN VlaANTAGONISTS SERENIX PHARMACEUTICALS, LLC (US) 2003-04-17 — — 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 (5 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-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B CASP3 3633/4885CTSL 2379/4885CTSS 4254/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B CASP3 4056/4885CTSL 1804/4885CTSS 2905/4885
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B CASP3 3633/4885CTSL 2379/4885CTSS 4254/4885
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B CASP3 4353/4885CTSL 1304/4885CTSS 2338/4885
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AVPR1A, AVPR2, AVPR1B CASP3 4031/4885CTSL 2246/4885CTSS 2956/4885

“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.

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