SCHEMBL2690134

SCHEMBL2690134

Cc1ccc(S(=O)(=O)NC2CCCC2N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.44
MMP2 P08253 3/20 0.41
MMP13 P45452 3/20 0.41
MMP9 P14780 2/20 0.41
MMP14 P50281 2/20 0.41
AKR1C3 P42330 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 3/20 0.41

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
SCHEMBL4621841 0.78 TSHR (0.47) TSHRALDH1A1CYP3A4LMNAMAPT
SCHEMBL28669648 0.77 ALDH1A1 (0.59) TSHRALDH1A1CYP3A4LMNAMAPT
SCHEMBL4624018 0.77 TSHR (0.59) TSHRALDH1A1CYP3A4LMNAHTT
SCHEMBL3970619 0.74 ALDH1A1 (0.72) TSHRALDH1A1CYP3A4LMNAMAPT
SCHEMBL30613684 0.74 MMP2 (0.64) TSHRALDH1A1CYP3A4LMNAPOLB
SCHEMBL21751533 0.74 MMP2 (0.64) TSHRALDH1A1CYP3A4LMNAPOLB
SCHEMBL21751532 0.74 MMP2 (0.64) TSHRALDH1A1CYP3A4LMNAPOLB
SCHEMBL8068632 0.74 MMP2 (0.64) TSHRALDH1A1CYP3A4LMNAPOLB
SCHEMBL16057391 0.73 TSHR (0.61) TSHRALDH1A1CYP3A4LMNAHTT
SCHEMBL17481681 0.73 TSHR (0.61) TSHRALDH1A1CYP3A4LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF (US) 2010-05-13 US claimed
US-9156778-B2 Cross-coupled peptide nucleic acids for detection of nucleic acids of pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-13 US disclosed
US-20120322053-A1 CROSS-COUPLED PEPTIDE NUCLEIC ACIDS FOR DETECTION OF NUCLEIC ACIDS OF PATHOGENS APPELLA DANIEL H (US) 2012-12-20 US disclosed
US-20120107794-A1 Cross-Coupled Peptide Nucleic Acids for Detection of Nucleic Acids of Pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-03 US disclosed
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF (US) 2010-05-13 US disclosed
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF (US) 2010-05-13 US disclosed
WO-2008039367-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-03 WO disclosed
WO-2008039367-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-03 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-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE TERF2, TERF2IP, TCOF1 TSHR 1482/4885ALDH1A1 4707/4885CYP3A4 3257/4885

“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.