SCHEMBL3785063

SCHEMBL3785063

CCOC(=O)C(C)(C)S(=O)(=O)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MCOLN3 Q8TDD5 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
SCHEMBL3784823 0.98 ALDH1A1 (0.44) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL1691163 0.97 ALDH1A1 (0.42) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL3786326 0.85 TSHR (0.47) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL3772118 0.83 ALDH1A1 (0.34) ALDH1A1TSHRPOLBGAACYP2C19
SCHEMBL3770086 0.82 MAPT (0.39) ALDH1A1TSHRPOLBGAAMAPT
SCHEMBL3786630 0.79 MMP8 (0.33) ALDH1A1TSHRPOLBGAACYP2C19
SCHEMBL3783912 0.79 MAPT (0.39) ALDH1A1TSHRPOLBGAACYP2C19
SCHEMBL3780491 0.77 AKR1C3 (0.41) ALDH1A1TSHRPOLBKDM4ELMNA
SCHEMBL3779333 0.74 ALDH1A1 (0.38) ALDH1A1TSHRPOLBGAARAB9A
SCHEMBL5257795 0.72 CYP4F2 (0.39) ALDH1A1TSHRPOLBKDM4EMAPT

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 ALDH1A1 1785/4885TSHR 876/4885POLB 4500/4885

“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.