SCHEMBL3779377

SCHEMBL3779377

CC(C)CNS(=O)(=O)C(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
ALDH1A1 P00352 2/20 0.37
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
MAPT P10636 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL3784128 0.77 CA12 (0.36) CYP2D6CYP2C19TSHRCA12CA9
SCHEMBL13849291 0.76 CA12 (0.37) ATMCYP2D6CYP2C19MEN1TSHR
SCHEMBL3782569 0.73 CA12 (0.45) CYP2C19CA12CA7CA9CA14
SCHEMBL8653928 0.73 CA12 (0.45) ATMCYP2D6CYP2C19MEN1TSHR
SCHEMBL777551 0.72 CA12 (0.35) ATMCYP2D6CYP2C19MEN1TSHR
SCHEMBL3775586 0.72 NPSR1 (0.38) TSHRCA12CA14ALDH1A1CA2
SCHEMBL8658227 0.72 NOS2 (0.41) ATMCYP2D6CYP2C19MEN1TSHR
SCHEMBL3786495 0.71 CA12 (0.48) MEN1KMT2ACA12CA7CA9
SCHEMBL777267 0.70 EPHX1 (0.45) ATMCYP2D6CYP2C19CA12CA7
SCHEMBL20711239 0.69 CA12 (0.40) ATMCYP2D6CYP2C19MEN1TSHR

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 3 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
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP 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 ATM 4536/4885CYP2D6 718/4885CYP2C19 705/4885

“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.