SCHEMBL3499856

SCHEMBL3499856

Cc1ccc(S(=O)(=O)NOC(=O)N(C2CCCC2)C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ALDH1A1 P00352 10/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
ADORA3 P0DMS8 1/20 0.44
LMNA P02545 5/20 0.42
AKR1C3 P42330 1/20 0.42
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL3497445 0.73 POLB (0.51) POLBALDH1A1TSHRCYP3A4ADORA3
SCHEMBL2690134 0.70 TSHR (0.50) POLBALDH1A1TSHRCYP3A4ADORA3
SCHEMBL5196180 0.69 CA1 (0.55) POLBALDH1A1TSHRCYP3A4LMNA
SCHEMBL9789382 0.69 POLB (0.78) POLBALDH1A1TSHRCYP3A4ADORA3
SCHEMBL28430487 0.68 CA1 (0.53) POLBALDH1A1TSHRLMNAGAA
SCHEMBL13297951 0.66 ALDH1A1 (0.90) ALDH1A1TSHRCYP3A4LMNAGAA
SCHEMBL12819436 0.66 ALDH1A1 (0.96) ALDH1A1TSHRCYP3A4ADORA3LMNA
SCHEMBL29259787 0.65 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4ADORA3LMNA
SCHEMBL128274 0.65 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4ADORA3LMNA
SCHEMBL13282573 0.65 ADORA3 (0.62) POLBALDH1A1TSHRCYP3A4ADORA3

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 1 patent. 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 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 1358/4885ALDH1A1 4707/4885TSHR 1482/4885

“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.