SCHEMBL3900560

SCHEMBL3900560

CC(=O)OCc1csc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
GPR119 Q8TDV5 3/20 0.43
ENPP2 Q13822 4/20 0.43
EPHX1 P07099 1/20 0.41
ACKR3 P25106 1/20 0.41
NSD2 O96028 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRMT5 O14744 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6049079 0.86 ENPP2 (0.44) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL3900556 0.77 NPC1 (0.38) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL20649096 0.77 GPR119 (0.51) MAPTGPR119ACKR3KMT2APRMT5
SCHEMBL20649092 0.76 GPR119 (0.49) MAPTNPC1RAB9AHTTGPR119
SCHEMBL7533964 0.76 ENPP2 (0.51) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL26775806 0.75 USP30 (0.46) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL6182814 0.74 ITGB3 (0.54) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL3449537 0.74 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL23702764 0.73 IDH1 (0.51) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL23708736 0.73 IDH1 (0.51) ALDH1A1MAPTNPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534887-B2 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20070010528-A1 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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 (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-20070010528-A1 Thiazoline derivative and use of the same TBXA2R, F2, F3 ALDH1A1 2163/4885MAPT 4729/4885NPC1 2367/4885

“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.