SCHEMBL3317604

SCHEMBL3317604

CCOC(=O)c1csc(Nc2cc(C(=O)NC3CC3)ccc2C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HSD17B10 Q99714 2/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
HSP90AA1 P07900 2/20 0.52
MAPK14 Q16539 3/20 0.52
MAPK11 Q15759 2/20 0.52
SMN1; SMN2 Q16637 7/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL3815355 0.85 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3313975 0.82 MAPK14 (0.50) RAB9ANPC1MAPK14MAPK11MAPT
SCHEMBL3318631 0.81 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12
SCHEMBL31436988 0.79 CYP1A2 (0.54) LMNANPSR1HSD17B10RAB9ANPC1
SCHEMBL3315767 0.78 MAPK14 (0.58) LMNARAB9ANPC1MAPK14MAPK11
SCHEMBL3317469 0.77 HPGDS (0.56) MAPK14MAPK11MAPTMAPK1KDM4E
SCHEMBL3319102 0.77 MAPK14 (0.58) LMNANPSR1HSD17B10RAB9ANPC1
SCHEMBL3314066 0.77 MAPK14 (0.59) LMNARAB9ANPC1MAPK14MAPK11
SCHEMBL10464759 0.76 RAB9A (0.62) LMNANPSR1RAB9ANPC1HSP90AA1
SCHEMBL3819082 0.76 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US claimed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP claimed
CN-1829513-A 5-membered heterocycle-based p-38 inhibitors NOVARTIS AG (CH) 2006-09-06 CN claimed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP claimed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
CN-1829513-A 5-membered heterocycle-based p-38 inhibitors NOVARTIS AG (CH) 2006-09-06 CN disclosed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP disclosed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 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 (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-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 LMNA 1125/4885NPSR1 3523/4885HSD17B10 3827/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 LMNA 1333/4885NPSR1 3693/4885HSD17B10 3946/4885

“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.