SCHEMBL3748736

SCHEMBL3748736

O=C1C[C@@H](NS(=O)(=O)C2CCCCC2)CCCN1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
OR51E2 Q9H255 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
BRD4 O60885 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL11134361 0.75 CA12 (0.61) CA1CA12CA7CA14CA2
SCHEMBL6057631 0.75 CA12 (0.61) CA1CA12CA7CA14CA2
SCHEMBL3742893 0.74 CCR2 (0.34)
SCHEMBL1048715 0.71 CA12 (0.61) CA1CA12CA7CA14CA2
SCHEMBL3748739 0.71 CCR2 (0.50) ALDH1A1HTT
SCHEMBL8297582 0.71 OR51E2 (0.38) PKMOR51E2HTT
SCHEMBL8483452 0.71 CA12 (0.50) CA1CA12CA7CA14CA2
SCHEMBL3742788 0.71
SCHEMBL3745870 0.71 CCR2 (0.34)
SCHEMBL14855730 0.70 MAPK1 (0.62) KDM4ERECQLSMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497261-B2 3-aminocaprolactam compounds for treating inflammatory disorders CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-30 US claimed
US-20100292213-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-11-18 US claimed

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-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 CA1 1161/4885CA12 1670/4885CA7 2160/4885

“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.