SCHEMBL72623

SCHEMBL72623

CC(C)(C)OC(=O)Cc1ccc(NC(=O)c2csc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.53
NFATC1 O95644 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MAOB P27338 1/20 0.47
HTR2C P28335 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
SCHEMBL72416 0.83 PIN1 (0.46) PTGDR2NFATC1MAPTKMT2AMEN1
SCHEMBL5160691 0.77 HDAC3 (0.50) MAPTKMT2AMEN1HDAC3HDAC4
SCHEMBL20541971 0.76 HDAC3 (0.68) PTGDR2NFATC1MAPTKMT2AMEN1
SCHEMBL4215039 0.72 PIN1 (0.48) NFATC1MAPTKMT2AMEN1USP2
SCHEMBL31182014 0.71 PIN1 (0.68) NFATC1MAPTKMT2AMEN1KDM4E
SCHEMBL31182032 0.70 MAOB (0.54) NFATC1MAPTKMT2AMEN1USP2
SCHEMBL70894 0.70 PIK3CA (0.46) PTGDR2NFATC1MAPTKMT2AMEN1
SCHEMBL24276673 0.69 MAPT (0.46) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL17055289 0.69 MTNR1A (0.47) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL73586 0.69 SMN1; SMN2 (0.45) PTGDR2NFATC1MAPTKMT2AMEN1

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PTGDR2 458/4885NFATC1 1414/4885MAPT 4775/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 PTGDR2 457/4885NFATC1 1111/4885MAPT 4773/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PTGDR2 482/4885NFATC1 1137/4885MAPT 4795/4885

“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.