SCHEMBL6161671

SCHEMBL6161671

NC[C@H]1CN(c2ccc(C3CCSC(O)(O)C3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
CALML3 P27482 7/20 0.42
MAOB P27338 5/20 0.41
F10 P00742 4/20 0.41
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SDHA P31040 1/20 0.38

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
SCHEMBL6161325 0.87 MAOA (0.47) MAOACALML3MAOBF10LMNA
SCHEMBL6162164 0.86 MAOA (0.42) MAOACALML3MAOBF10LMNA
SCHEMBL6162599 0.85 MAOA (0.53) MAOACALML3MAOBF10LMNA
SCHEMBL8118953 0.84 MAOA (0.50) MAOACALML3MAOBF10LMNA
SCHEMBL8109073 0.83 MAOA (0.47) MAOACALML3MAOBF10LMNA
SCHEMBL5739768 0.83 MAOA (0.46) MAOACALML3MAOBF10
SCHEMBL6164118 0.82 MAOA (0.48) MAOACALML3MAOBF10
SCHEMBL5215517 0.82 MAOA (0.48) MAOACALML3MAOBF10
SCHEMBL6163072 0.82 MAOA (0.48) MAOACALML3MAOBF10
SCHEMBL8118062 0.82 MAOA (0.48) MAOACALML3MAOBF10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939632-B1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS LILLY CO ELI (US) 2005-10-05 EP disclosed
EP-0984947-B8 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN CO LLC (US) 2005-06-15 EP disclosed
US-20020049187-A1 Non-peptidyl vasopressin V1a antagonists BRUNS ROBERT F (US) 2002-04-25 US disclosed
US-6204260-B1 2-(AZETIDIN-2-ON-1-YL)ACETIC ACID DERIVATIVES ELI LILLY AND COMPANY 2001-03-20 US disclosed
EP-0984947-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2000-03-15 EP disclosed
WO-1998054161-A9 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY UPJOHN CO (US) 1999-04-08 WO disclosed
WO-1998054161-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 1998-12-03 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 (1 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-20020049187-A1 Non-peptidyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B MAOA 2324/4885CALML3 3377/4885MAOB 3457/4885

“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.