SCHEMBL1465636

SCHEMBL1465636

CCOC(=O)C(C)(C)Sc1nc(C)cs1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PPOX P50336 6/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2409834 0.82 TP53 (0.39) TP53SMN1; SMN2PPOXALDH1A1LMNA
SCHEMBL22334824 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL2412917 0.77 RAB9A (0.50) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL2411334 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL634381 0.74 SSTR4 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL633680 0.73 SSTR4 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL633274 0.73 SSTR4 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL2413208 0.72 PPOX (0.37) SMN1; SMN2PPOXALDH1A1MEN1KMT2A
SCHEMBL2606735 0.72 RAB9A (0.57) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL633518 0.71 SSTR4 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD

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 14 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
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
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP 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 TP53 4866/4885SMN1; SMN2 4576/4885PPOX 4306/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 TP53 4863/4885SMN1; SMN2 4530/4885PPOX 4273/4885

“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.