Sugi Predict

Sugi Predict / Compounds / SCHEMBL606221

SCHEMBL606221

SCHEMBL606221

CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.61
▸ CYP3A4 P08684 9/20 0.56
▸ SCN9A Q15858 1/20 0.54
▸ CTSS P25774 2/20 0.54
▸ CTSL P07711 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ PPARA Q07869 2/20 0.53
▸ PPARG P37231 1/20 0.53
▸ GPR132 Q9UNW8 1/20 0.52
▸ ITGB3 P05106 1/20 0.52
▸ ITGA2B P08514 1/20 0.52
▸ ITGA4 P13612 1/20 0.50
▸ ITGB7 P26010 1/20 0.50
▸ PTPN1 P18031 1/20 0.49

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
SCHEMBL30547269 1.00 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL30655780 1.00 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL29401567 1.00 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL479035 1.00 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL479037 1.00 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL3820572 0.91 ACE (0.53) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL2367464 0.90 ACE (0.52) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL13323784 0.90 ACE (0.52) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL8125933 0.90 CYP3A4 (0.52) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL29588090 0.90 CYP3A4 (0.52) ACECYP3A4SCN9ACTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 — — US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 — — EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 — — WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 — — US claimed
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME UNIV NEW YORK (US) 2024-06-13 — — US disclosed
US-11891422-B2 NEMO coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2024-02-06 — — US disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-110869352-B Chemical compound 诺瑟拉有限公司 2023-11-28 — — CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 — — US disclosed
US-5110904-A Luteinizing hormone releasing hormone; suppression of sex hormones ABBOTT LABORATORIES (US) 1992-05-05 — — US disclosed
EP-0400065-A4 LHRH ANALOGS — 1991-03-13 — — EP disclosed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 — — EP disclosed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 — — EP disclosed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 — — WO disclosed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
EP-0299402-A2 LHRH antagonists, their manufacture and pharmaceutical compositions thereof ASTA Medica Aktiengesellschaft (DE) 1989-01-18 — — EP disclosed
US-4504414-A Synthetic pyridyl-alanyl decapeptides having antiovulatory activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1985-03-12 — — 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 (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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 ACE 2233/4885CYP3A4 830/4885SCN9A 4461/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 ACE 140/4885CYP3A4 292/4885SCN9A 3393/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ACE 2233/4885CYP3A4 830/4885SCN9A 4461/4885
US-11891422-B2 NEMO coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH ACE 4652/4885CYP3A4 3865/4885SCN9A 2323/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH ACE 4653/4885CYP3A4 3715/4885SCN9A 2241/4885

“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.