SCHEMBL2477199

SCHEMBL2477199

CC(C)(COCc1ccccc1)C(=O)CC#N

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.43
CTSL P07711 5/20 0.41
CTSB P07858 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 2/20 0.39
GHSR Q92847 2/20 0.38
HSD17B10 Q99714 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
SCHEMBL1691323 0.84 LMNA (0.43) KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL20096897 0.80 KDM4E (0.47) KDM4EPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL1691754 0.79 KDM4E (0.53) CTSSKDM4EPOLBTSHRALDH1A1
SCHEMBL17709304 0.77 ALDH1A1 (0.53) KDM4EPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL4040412 0.76 KDM4E (0.54) KDM4EPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL1691485 0.76 ALDH1A1 (0.52) KDM4EPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL95926 0.75 KDM4E (0.56) KDM4EPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL15007835 0.74 MCL1 (0.33) CTSSKDM4EMCL1CTSLCTSB
SCHEMBL20267540 0.74 TSHR (0.47) CTSSKDM4EPOLBCTSLCTSB
SCHEMBL956809 0.74 NPC1 (0.48) CTSSMCL1CTSLTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370429-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-04-20 EP disclosed
CN-102333770-B P38 MAP kinase inhibitors RESPIVERT LTD 2015-01-28 CN disclosed
US-8299074-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
US-8299074-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
CN-102333770-A P38 map kinase inhibitors RESPIVERT LTD 2012-01-25 CN disclosed
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 US disclosed
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 US disclosed
EP-2370429-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed
WO-2010067130-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 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 (1 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-20110312963-A1 P38 MAP KINASE INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 CTSS 3379/4885KDM4E 4497/4885POLB 362/4885

“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.