SCHEMBL3772049

SCHEMBL3772049

CC(C)(C(=O)O)S(=O)(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL1691109 0.82 GAA (0.35) TSHRALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL3779333 0.82 ALDH1A1 (0.38) TSHRALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL1199842 0.80 CA12 (0.41) CA12CA7CA14TSHRALDH1A1
SCHEMBL3778707 0.80 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL9772311 0.77 LMNA (0.52) TSHRALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL12251566 0.77 CA12 (0.54) CA12CA7CA14TSHRALDH1A1
SCHEMBL3786326 0.76 TSHR (0.47) TSHRALDH1A1SMN1; SMN2L3MBTL1USP2
SCHEMBL18594477 0.74 CA12 (0.46) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL3775617 0.74 EPHX2 (0.31)
SCHEMBL13015611 0.74 CA12 (0.50) CA12CA7CA14TSHRALDH1A1

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 3771/4885CA7 3541/4885CA14 4109/4885

“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.