SCHEMBL469433

SCHEMBL469433

CCOC(=O)C(C)(C)Sc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
ABCB11 O95342 1/20 0.56
TSHR P16473 1/20 0.56
HTR2A P28223 1/20 0.56
PMP22 Q01453 1/20 0.56
PPARA Q07869 1/20 0.56
OPRK1 P41145 1/20 0.48
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.40
CNR2 P34972 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 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
SCHEMBL11541564 0.95 CYP1A2 (0.52) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL11541549 0.93 CYP1A2 (0.57) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL1465616 0.87 ALDH1A1 (0.46) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL3344926 0.85 CA12 (0.47) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL3284462 0.84 ALDH1A1 (0.46) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL766886 0.84 KMT2A (0.47) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL3828825 0.84 CYP1A2 (0.49) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL1464689 0.83 PIN1 (0.50) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL1464274 0.83 TSHR (0.43) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL1464321 0.83 ALDH1A1 (0.50) CYP1A2CYP3A4ABCB11TSHRHTR2A

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 36 patents — showing the first 20. 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-8846936-B2 Sulfonyl compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-8846936-B2 Sulfonyl compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed
US-8349871-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP1A2 641/4885CYP3A4 1181/4885ABCB11 2683/4885
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CYP1A2 629/4885CYP3A4 1216/4885ABCB11 2428/4885
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, GPR52 CYP1A2 965/4885CYP3A4 1422/4885ABCB11 1969/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 CYP1A2 638/4885CYP3A4 1178/4885ABCB11 2588/4885

“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.