SCHEMBL3773841

SCHEMBL3773841

CCCNS(=O)(=O)CCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
RELA Q04206 4/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CTSD P07339 1/20 0.35
PPARA Q07869 2/20 0.35
CA12 O43570 4/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 0.33
KMT2A Q03164 1/20 0.33
CA7 P43166 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL16371370 0.81 RELA (0.45) CA1RELAPPARACA12CA2
SCHEMBL1155970 0.75 CA1 (0.57) CA1RELAALDH1A1PPARACA12
SCHEMBL1722670 0.75 MEN1 (0.42) CA1RELAALDH1A1LMNACA12
SCHEMBL12916982 0.74 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL11515763 0.73 CA1 (0.55) CA1RELAPPARACA12CA2
SCHEMBL3165524 0.72 MEN1 (0.43) CA1RELAPPARACA12CA2
SCHEMBL3170341 0.72 MEN1 (0.43) CA1RELAPPARACA12CA2
SCHEMBL5689488 0.72 CA1 (0.52) CA1RELAALDH1A1LMNAPPARA
SCHEMBL805368 0.70
SCHEMBL4998398 0.70 RELA (0.58) CA1RELAPPARACA12CA2

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-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CA1 3103/4885RELA 667/4885ALDH1A1 1785/4885

“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.