SCHEMBL7954342

SCHEMBL7954342

CC[C@@H](C(=O)OC)N(Cc1ccccc1)C(=O)C1(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.45
CTSS P25774 3/20 0.45
CTSL P07711 2/20 0.45
KYNU Q16719 1/20 0.42
SYK P43405 1/20 0.40
TLR2 O60603 2/20 0.40
CTSK P43235 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 4/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 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
SCHEMBL7918135 1.00 CTSB (0.45) CTSBCTSSCTSLKYNUSYK
SCHEMBL14793666 0.93 CTSS (0.46) CTSBCTSSCTSLKYNUSYK
SCHEMBL336396 0.93 CTSS (0.46) CTSBCTSSCTSLKYNUSYK
SCHEMBL14793484 0.93 CTSS (0.46) CTSBCTSSCTSLKYNUSYK
SCHEMBL2486455 0.87 CTSS (0.42) CTSBCTSSCTSLKYNUSYK
SCHEMBL2488570 0.87 CTSS (0.42) CTSBCTSSCTSLKYNUSYK
SCHEMBL1508989 0.87 CTSB (0.47) CTSBCTSSCTSLKYNUCTSK
SCHEMBL1508777 0.87 CTSB (0.47) CTSBCTSSCTSLKYNUCTSK
SCHEMBL22661872 0.85 CTSB (0.45) CTSBCTSSCTSLKYNUTLR2
SCHEMBL2715828 0.77 CTSS (0.52) CTSBCTSSCTSLCTSKNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
WO-2009151069-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIRO[2.5]OCTANE RING STRUCTURE 第一三共株式会社 (JP) 2009-12-17 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 CTSB 2870/4885CTSS 3085/4885CTSL 2446/4885

“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.