SCHEMBL3784823

SCHEMBL3784823

CCOC(=O)C(C)(C)S(=O)(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MCOLN3 Q8TDD5 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 4/20 0.38
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3785063 0.98 ALDH1A1 (0.45) ALDH1A1HPGDTSHRPOLBMEN1
SCHEMBL1691163 0.95 ALDH1A1 (0.42) ALDH1A1HPGDTSHRPOLBMEN1
SCHEMBL3786326 0.84 TSHR (0.47) ALDH1A1HPGDTSHRPOLBMEN1
SCHEMBL3772118 0.81 ALDH1A1 (0.34) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL3770086 0.80 MAPT (0.39) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL3786630 0.78 MMP8 (0.33) ALDH1A1TSHRPOLBLMNAGAA
SCHEMBL3783912 0.77 MAPT (0.39) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL3780491 0.76 AKR1C3 (0.41) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL3778707 0.74 ALDH1A1 (0.40) ALDH1A1HPGDTSHRPOLBMEN1
SCHEMBL26039065 0.73 ALDH1A1 (0.39) ALDH1A1HPGDTSHRRAB9AMAPT

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 1785/4885HPGD 637/4885TSHR 876/4885

“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.