SCHEMBL2225281

SCHEMBL2225281

CCOC(=O)C(C)(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIN1 Q13526 1/20 0.41
PTGS2 P35354 2/20 0.40
ENPP2 Q13822 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP8 P22894 1/20 0.39
THRB P10828 1/20 0.39
RORC P51449 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1463596 0.89 KMT2A (0.48) PHGDHALDH1A1SMN1; SMN2PIN1KMT2A
SCHEMBL12102151 0.87 KMT2A (0.54) PHGDHALDH1A1SMN1; SMN2PIN1ENPP2
SCHEMBL1464318 0.87 HSD11B1 (0.51) ALDH1A1SMN1; SMN2PIN1HSD11B1KMT2A
SCHEMBL469434 0.86 ABCB11 (0.55) PHGDHKMT2ATHRBABCB11CYP1A2
SCHEMBL766844 0.86 NOD2 (0.44) PHGDHALDH1A1SMN1; SMN2PTGS2KMT2A
SCHEMBL1464437 0.84 MMP1 (0.45) PHGDHPIN1PTGS2HSD11B1KMT2A
SCHEMBL1464174 0.84 MMP13 (0.50) ALDH1A1SMN1; SMN2MMP8ABCB11CYP1A2
SCHEMBL1464602 0.83 CNR2 (0.50) PHGDHKMT2ARORCTSHRNPSR1
SCHEMBL1464761 0.79 THRB (0.49) PHGDHALDH1A1SMN1; SMN2THRBABCB11
SCHEMBL1463576 0.79 GAA (0.60) ALDH1A1SMN1; SMN2KMT2AGAA

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-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
EP-2523936-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2012-11-21 EP disclosed
WO-2011088015-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 WO disclosed
WO-2011088015-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 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-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, OPRL1 PHGDH 3505/4885ALDH1A1 2203/4885SMN1; SMN2 4530/4885

“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.