SCHEMBL3320428

SCHEMBL3320428

COC(=O)c1ccc(C)c(N=C=S)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
NOTUM Q6P988 1/20 0.43
CYP2C9 P11712 4/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL7119247 0.88 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL1093841 0.86 TRPA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL2900923 0.84 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL6118516 0.83 MAPT (0.53) CA1CA2CA12CA7CA9
SCHEMBL3399259 0.82 ALDH1A1 (0.46) ALDH1A1TDP1MAPTLMNAGAA
SCHEMBL2344531 0.82 ALDH1A1 (0.46) CA1CA2ALDH1A1TDP1MAPT
SCHEMBL24423486 0.82 TDP1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL6114050 0.81 ALDH1A1 (0.44) CA1CA2ALDH1A1TDP1MAPT
SCHEMBL85865 0.80 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL2901274 0.80 CYP3A4 (0.41) CA1CA2CA12CA7CA9

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 6 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 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
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 CA1 4560/4885CA2 4559/4885CA12 4858/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 CA1 4434/4885CA2 4507/4885CA12 4820/4885

“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.