SCHEMBL3497445

SCHEMBL3497445

Cc1ccc(S(=O)(=O)NN(C(=O)OC(C)(C)C)C2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ADORA3 P0DMS8 1/20 0.44
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 1/20 0.44
MMP13 P45452 1/20 0.42
LMNA P02545 3/20 0.42
AKR1C3 P42330 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 1/20 0.41
FPR1 P21462 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4624690 0.79 POLB (0.47) POLBADORA3ALDH1A1TSHRCYP3A4
SCHEMBL3499856 0.73 POLB (0.51) POLBADORA3ALDH1A1TSHRCYP3A4
SCHEMBL4401404 0.71 TSHR (0.48) POLBADORA3ALDH1A1TSHRCYP3A4
SCHEMBL9116923 0.71 ALDH1A1 (0.50) POLBADORA3ALDH1A1TSHRCYP3A4
SCHEMBL4367542 0.71 ALDH1A1 (0.50) POLBADORA3ALDH1A1TSHRCYP3A4
SCHEMBL4367433 0.69 STAT5B (0.39) POLBADORA3ALDH1A1TSHRCYP3A4
SCHEMBL9114934 0.69 STAT5B (0.39) POLBADORA3ALDH1A1TSHRCYP3A4
SCHEMBL9789382 0.69 POLB (0.78) POLBADORA3ALDH1A1TSHRCYP3A4
SCHEMBL497667 0.68 NFKB1 (0.53) POLBMMP13LMNASMN1; SMN2GAA
SCHEMBL2960697 0.68 AGER (0.45) POLBALDH1A1TSHRLMNATP53

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 4 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
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 claimed
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

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 POLB 1358/4885ADORA3 1725/4885ALDH1A1 4707/4885

“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.