SCHEMBL1464952

SCHEMBL1464952

CCOC(=O)C(C)(C)Sc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
PIN1 Q13526 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP26A1 O43174 1/20 0.40
ANPEP P15144 1/20 0.40
EPHX1 P07099 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1464689 0.83 PIN1 (0.50) GAAPIN1NPC1TP53MMP8
SCHEMBL15681420 0.81 TP53 (0.40) GAAPIN1TP53MMP8MEN1
SCHEMBL12102156 0.81 CA12 (0.47) GAAPIN1KDM4ETP53ALDH1A1
SCHEMBL3902821 0.80 TUBB4A (0.46) ALDH1A1PPARATSHRPPARG
SCHEMBL1465616 0.80 ALDH1A1 (0.46) GAAPIN1NPC1TP53MMP8
SCHEMBL1464274 0.79 TSHR (0.43) SLC6A2SLC6A4SLC6A3TP53ALDH1A1
SCHEMBL3347843 0.79 TP53 (0.40) PIN1TP53MMP8LMNAMAPT
SCHEMBL1464321 0.79 ALDH1A1 (0.50) GAAKDM4ENPC1TP53ALDH1A1
SCHEMBL3344926 0.78 CA12 (0.47) GAAPIN1SLC6A2KDM4ENPC1
SCHEMBL1464473 0.78 POLB (0.45) PIN1TP53MEN1ALDH1A1LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 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 (2 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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 GAA 4570/4885PIN1 1799/4885SLC6A2 1215/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 GAA 4518/4885PIN1 1726/4885SLC6A2 1114/4885

“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.