SCHEMBL4998435

SCHEMBL4998435

CC(C)C[C@@H](NC(=O)C1CCCCCN1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CTSC P53634 4/20 0.44
DPP7 Q9UHL4 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
FOLH1 Q04609 2/20 0.39
CTSK P43235 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRCP P42785 1/20 0.39

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
SCHEMBL22295667 0.94 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNACTSC
SCHEMBL6373762 0.94 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNACTSC
SCHEMBL30729296 0.94 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNACTSC
SCHEMBL29876413 0.94 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNACTSC
SCHEMBL3041931 0.94 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNACTSC
SCHEMBL29578356 0.94 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNACTSC
Acetic Acid SCHEMBL30771284 0.92 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNACTSC
SCHEMBL29762027 0.89 MEN1 (0.45) ALDH1A1MEN1KMT2ALMNACTSC
SCHEMBL30423293 0.86 MEN1 (0.43) ALDH1A1MEN1KMT2ALMNACTSC
SCHEMBL31721020 0.86 MEN1 (0.43) ALDH1A1MEN1KMT2ALMNACTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 EP disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 ALDH1A1 1420/4885MEN1 517/4885KMT2A 3752/4885

“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.