SCHEMBL72217

SCHEMBL72217

CCOC(=O)Cc1cc(Cl)c(NC(=O)c2csc3ccccc23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
PIK3CA P42336 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 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
SCHEMBL5708317 0.91 SMN1; SMN2 (0.43) MAPTNPSR1KMT2AHSD17B10SMN1; SMN2
SCHEMBL71627 0.86 HDAC3 (0.45) MAPTNPSR1KMT2AHSD17B10SMN1; SMN2
SCHEMBL70894 0.83 PIK3CA (0.46) MAPTNPSR1KMT2AHSD17B10SMN1; SMN2
SCHEMBL91650 0.82 SMN1; SMN2 (0.49) MAPTNPSR1KMT2AHSD17B10SMN1; SMN2
SCHEMBL72295 0.81 PKM (0.54) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL72819 0.81 MAOB (0.45) MAPTSMN1; SMN2NPC1RAB9AITGB1
SCHEMBL73586 0.79 SMN1; SMN2 (0.45) MAPTNPSR1KMT2AHSD17B10SMN1; SMN2
SCHEMBL70868 0.77 ITGB1 (0.43) MAPTKMT2ASMN1; SMN2MEN1ITGB1
SCHEMBL71300 0.77 ITGB1 (0.43) MAPTKMT2ASMN1; SMN2MEN1ITGB1
SCHEMBL71301 0.77 ITGB1 (0.43) MAPTKMT2ASMN1; SMN2MEN1ITGB1

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-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4775/4885NPSR1 1592/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885NPSR1 1517/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885NPSR1 2018/4885KMT2A 881/4885
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 MAPT 2970/4885NPSR1 3161/4885KMT2A 239/4885

“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.