SCHEMBL13062815

SCHEMBL13062815

C=C(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)NCCC)no1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.38
CNR1 P21554 7/20 0.38
POLB P06746 1/20 0.36
EGFR P00533 2/20 0.34
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL13062675 0.91 CNR2 (0.40) CNR2CNR1EGFR
SCHEMBL13062669 0.89 CNR2 (0.36) CNR2CNR1EGFR
SCHEMBL3660664 0.82 CNR1 (0.56) CNR2CNR1POLBEGFRGAA
SCHEMBL13062814 0.81 CNR2 (0.40) CNR2CNR1EGFRGAA
SCHEMBL13062817 0.76 CNR2 (0.42) CNR2CNR1
SCHEMBL3654121 0.75 CNR1 (0.54) CNR2CNR1POLBEGFRGAA
SCHEMBL13062679 0.75 CNR2 (0.41) CNR2CNR1EGFRALDH1A1GAA
SCHEMBL14953542 0.74 CNR2 (0.53) CNR2CNR1POLBEGFRGAA
SCHEMBL13062816 0.74 CNR2 (0.39) CNR2CNR1ALDH1A1TSHR
SCHEMBL14302157 0.74 CNR2 (0.45) CNR2CNR1ALDH1A1GAATSHR

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-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 CNR2 1/4885CNR1 2/4885POLB 4500/4885

“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.