SCHEMBL3786495

SCHEMBL3786495

CCCCNS(=O)(=O)C(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.48
CA2 P00918 6/20 0.48
CA1 P00915 5/20 0.48
CA14 Q9ULX7 4/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 5/20 0.47
EPHX1 P07099 3/20 0.47
ALOX15 P16050 1/20 0.39
PPARA Q07869 2/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CISD1 Q9NZ45 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL3782569 0.88 CA12 (0.45) CA12CA2CA1CA14CA7
SCHEMBL3784128 0.79 CA12 (0.36) CA12CA9KDM4C
SCHEMBL3784911 0.79 CA12 (0.43) CA12CA2CA1CA14CA7
SCHEMBL10133161 0.77 CA1 (0.58) CA12CA2CA1CA14CA7
SCHEMBL3781129 0.77 ALDH1A1 (0.33) CA12CA9HTTKMT2A
SCHEMBL13015635 0.74 CA1 (0.54) CA12CA2CA1CA14CA7
Trifluoroacetic Acid SCHEMBL17258931 0.72 CA1 (0.47) CA12CA2CA1CA14CA7
SCHEMBL47312 0.71 EPHX1 (0.84) CA12CA2CA1CA14CA7
SCHEMBL10115090 0.71 EPHX1 (0.64) CA12CA2CA1CA14CA7
SCHEMBL3779377 0.71 ATM (0.44) CA12CA2CA14CA7CA9

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 8 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-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
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
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO 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 CA12 3771/4885CA2 1820/4885CA1 3103/4885

“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.