SCHEMBL3777235

SCHEMBL3777235

CC(C)(C(=O)O)S(=O)(=O)N1CCC(F)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
POLB P06746 1/20 0.33
DPP4 P27487 5/20 0.33
DPP7 Q9UHL4 5/20 0.33
ALDH1A1 P00352 3/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.30
DPP9 Q86TI2 1/20 0.30
TSHR P16473 1/20 0.30
CYP2D6 P10635 1/20 0.30
HTT P42858 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
SCHEMBL3777234 1.00 KDM4E (0.33) KDM4EPOLBDPP4DPP7ALDH1A1
SCHEMBL13842716 0.85 POLB (0.33) POLBDPP4DPP7ALDH1A1TP53
SCHEMBL22013224 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13392941 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3783917 0.79 MAPT (0.39) POLBALDH1A1TP53ALOX15TSHR
SCHEMBL13015647 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3776842 0.75 HSD11B1 (0.42) KDM4EPOLBALDH1A1TP53
Trifluoroacetic Acid SCHEMBL29021722 0.74 DPP4 (0.41) DPP4DPP7DPP9
SCHEMBL10171235 0.74 DPP4 (0.30) DPP4DPP9
SCHEMBL1691109 0.74 GAA (0.35) POLBALDH1A1TSHR

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 KDM4E 3299/4885POLB 4500/4885DPP4 4181/4885

“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.