SCHEMBL14701889

SCHEMBL14701889

CCC(C)CC[C@H](C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.59
GABRR1 P24046 2/20 0.54
CYP1A2 P05177 1/20 0.54
BLM P54132 1/20 0.52
LTA4H P09960 1/20 0.42
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
FOLH1 Q04609 2/20 0.37

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
SCHEMBL15062403 1.00 ACE2 (0.59) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL18159069 0.93 ACE2 (0.53) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL5739604 0.88 BLM (0.69) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL592495 0.86 ACE2 (0.68) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL6293897 0.86 ACE2 (0.68) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL16431036 0.86 ACE2 (0.68) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL231310 0.86 ACE2 (0.68) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL3302699 0.86 BLM (0.73) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL21541575 0.86 ACE2 (0.68) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL5879059 0.86 ACE2 (0.68) ACE2GABRR1CYP1A2BLMLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002286-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY 2016-01-07 US disclosed
US-9175053-B2 Chemical preparation of ubiquitin thioesters and modifications thereof BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2015-11-03 US disclosed
US-9079966-B2 Chemical preparation of polyubiquitin chains BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2015-07-14 US disclosed
US-20130060003-A1 CHEMICAL PREPARATION OF POLYUBIQUITIN CHAINS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2013-03-07 US disclosed
US-20130041132-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2013-02-14 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 (3 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-20130060003-A1 CHEMICAL PREPARATION OF POLYUBIQUITIN CHAINS UBQLN1, UBE3A, UBQLN2 ACE2 3613/4885GABRR1 986/4885CYP1A2 3293/4885
US-20160002286-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF OTUB1, USP28, PTMS ACE2 3034/4885GABRR1 4012/4885CYP1A2 4077/4885
US-20130041132-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF OTUB1, USP28, PTMS ACE2 3034/4885GABRR1 4012/4885CYP1A2 4077/4885

“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.