SCHEMBL3019712

SCHEMBL3019712

CCCCC(=O)COC(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ACHE P22303 8/20 0.35
ALDH1A1 P00352 2/20 0.34
HAO1 Q9UJM8 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EPHX1 P07099 1/20 0.34
PAM P19021 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
CTSK P43235 1/20 0.33
DGKA P23743 1/20 0.32

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
SCHEMBL27925026 0.81 TDP1 (0.36) ALDH1A1MAPTKMT2A
SCHEMBL11100479 0.77 EPHX1 (0.52) ACHEALDH1A1EPHX1
SCHEMBL21059108 0.76 EPHX1 (0.60) ACHEEPHX1
Ammonia Solution, Strong SCHEMBL27626603 0.76 EPHX1 (0.50) ACHEALDH1A1EPHX1
SCHEMBL27983643 0.75 EPHX1 (0.38) ACHEALDH1A1EPHX1
SCHEMBL18989761 0.75 TSHR (0.35) ALDH1A1EPHX1MAPTKMT2A
SCHEMBL9425078 0.74 HSP90AA1 (0.48) CES2CES1ALDH1A1HAO1EPHX1
SCHEMBL29173247 0.74 ALDH1A1 (0.41) CES2CES1ALDH1A1CA1PAM
SCHEMBL21059244 0.74 EPHX1 (0.63) ACHEEPHX1
SCHEMBL28804144 0.74 EPHX1 (0.63) ACHEEPHX1

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-20100216787-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
EP-1721905-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-11-15 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-20100216787-A1 THIAZOLE DERIVATIVE TGFBR1, TGFBR2, SMAD3 CES2 3558/4885CES1 3615/4885ACHE 4711/4885

“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.