SCHEMBL3834280

SCHEMBL3834280

COC(=O)[C@H](CC(=O)OC(C)(C)C)NCC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.46
KLK7 P49862 1/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SYK P43405 1/20 0.44
PPARA Q07869 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCC3 O15438 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
RARG P13631 1/20 0.43
CNR1 P21554 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL2135542 0.85 POLB (0.46) KLK5KLK7MAPTPOLBGAA
SCHEMBL24600420 0.85 SYK (0.57) KLK5KLK7MAPTRAB9APOLB
SCHEMBL19694832 0.84 KYNU (0.56) KLK5KLK7SYKPPARAALDH1A1
SCHEMBL19694834 0.84 KYNU (0.56) KLK5KLK7SYKPPARAALDH1A1
SCHEMBL4256075 0.84 KYNU (0.56) KLK5KLK7SYKPPARAALDH1A1
SCHEMBL1414515 0.83 PPARA (0.55) KLK5KLK7MAPTRAB9ASYK
SCHEMBL2172165 0.82 ITGA4 (0.47) KLK5KLK7MAPTPOLBSYK
SCHEMBL2172158 0.82 ITGA4 (0.47) KLK5KLK7MAPTPOLBSYK
SCHEMBL4022466 0.82 ITGA4 (0.58) KLK5MAPTPOLBCYP2C9CYP2C19
SCHEMBL4022463 0.82 ITGA4 (0.58) KLK5MAPTPOLBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 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 (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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 KLK5 4379/4885KLK7 4506/4885MAPT 3039/4885

“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.