SCHEMBL3778707

SCHEMBL3778707

CC(C)(C(=O)O)S(=O)(=O)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3779333 0.98 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LMNACA1
SCHEMBL1691109 0.94 GAA (0.35) ALDH1A1KMT2AMEN1LMNACA1
SCHEMBL3772049 0.80 CA12 (0.45) ALDH1A1LMNATSHRTDP1SMN1; SMN2
SCHEMBL3775617 0.77 EPHX2 (0.31) CYP2C19
SCHEMBL1104450 0.75 CA1 (0.48) ALDH1A1KMT2AMEN1LMNACA1
SCHEMBL3784823 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL3776842 0.74 HSD11B1 (0.42) ALDH1A1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL12251533 0.72 CA1 (0.43) ALDH1A1KMT2AMEN1LMNACA1
SCHEMBL3777234 0.72 KDM4E (0.33) ALDH1A1POLBTSHR
SCHEMBL3777235 0.72 KDM4E (0.33) ALDH1A1POLBTSHR

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 9 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
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 ALDH1A1 1785/4885KMT2A 3644/4885MEN1 4834/4885

“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.