SCHEMBL13966856

SCHEMBL13966856

CCCCCCC(NS(=O)(=O)c1ccc(C)cc1)C1CO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.51
▸ CA9 Q16790 4/20 0.51
▸ CA12 O43570 2/20 0.51
▸ ALDH1A1 P00352 7/20 0.43
▸ TSHR P16473 2/20 0.42
▸ CA1 P00915 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PLAU P00749 2/20 0.41
▸ HPN P05981 2/20 0.41
▸ CA7 P43166 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA4 P22748 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PLA2G2C Q5R387 1/20 0.38

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
SCHEMBL13966628 1.00 CA2 (0.51) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13941904 1.00 CA2 (0.51) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13941902 1.00 CA2 (0.51) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966152 0.85 CA2 (0.47) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966352 0.85 CA2 (0.47) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966124 0.85 CA2 (0.47) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966900 0.84 MCHR1 (0.43) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966840 0.84 CA2 (0.51) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966348 0.81 CA2 (0.45) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966122 0.81 CA2 (0.45) CA2CA9CA12ALDH1A1TSHR

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-20090012120-A1 Synthesis of N-heterocycles, beta-amino acids, and allyl amines via aza-payne mediated reaction of ylides and hydroxy aziridines BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-01-08 — — 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-20090012120-A1 Synthesis of N-heterocycles, beta-amino acids, and allyl amines via aza-payne mediated reaction of ylides and hydroxy aziridines TET1, TET3, TET2 CA2 2761/4885CA9 2506/4885CA12 3461/4885

“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.

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