SCHEMBL4401404

SCHEMBL4401404

Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MCOLN2 Q8IZK6 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MCOLN1 Q9GZU1 1/20 0.43
POLB P06746 1/20 0.43
MMP13 P45452 2/20 0.42
LMNA P02545 1/20 0.42
MMP2 P08253 1/20 0.42
AKR1C3 P42330 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 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
SCHEMBL4367542 0.98 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ADORA3MAOA
SCHEMBL9116923 0.98 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ADORA3MAOA
SCHEMBL30065513 0.84 ALOX5 (0.46) ALDH1A1MAOAMAOBPOLBMMP13
SCHEMBL4624018 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4ADORA3POLB
SCHEMBL11807856 0.79 ALDH1A1 (0.57) TSHRALDH1A1CYP3A4ADORA3POLB
SCHEMBL6639675 0.79 MAOA (0.43) TSHRADORA3MAOAMAOBPOLB
SCHEMBL3970619 0.78 ALDH1A1 (0.72) TSHRALDH1A1CYP3A4ADORA3MCOLN2
SCHEMBL25320712 0.78 MAOA (0.42) ADORA3MAOAMAOBPOLBMMP13
SCHEMBL14368963 0.77 MAOA (0.43) TSHRALDH1A1ADORA3MAOAMAOB
SCHEMBL16099696 0.77 BTK (0.57) MAOBKMT2A

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-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-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

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.