SCHEMBL1564588

SCHEMBL1564588

CC(C)(C)C1[C@@H](NC(=O)c2cc(-c3ccccc3)sc2N)CCCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ GFER P55789 1/20 0.47
▸ ALOX15 P16050 8/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CHEK1 O14757 6/20 0.44
▸ IKBKB O14920 1/20 0.42
▸ ADORA1 P30542 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1563673 0.97 GAA (0.48) GAAMAPTGFERALOX15ALDH1A1
SCHEMBL1563538 0.87 CHEK1 (0.62) CHEK1IKBKB
SCHEMBL1562835 0.84 CHEK1 (0.63) CHEK1IKBKB
SCHEMBL1563525 0.83 CHEK1 (0.52) CHEK1RAB9A
SCHEMBL1562877 0.81 CHEK1 (0.46) ALDH1A1HPGDCHEK1RAB9A
SCHEMBL5001067 0.81 CHEK1 (0.54) CHEK1IKBKB
SCHEMBL5000965 0.81 CHEK1 (0.50) GAAMAPTGFERALOX15CHEK1
SCHEMBL4994981 0.79 CHEK1 (0.52) CHEK1
SCHEMBL1563866 0.78 CHEK1 (0.43) GAACHEK1RAB9A
SCHEMBL1770910 0.78 CHEK1 (0.42) GAAMAPTGFERALDH1A1HPGD

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
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 GAA 2518/4885MAPT 3514/4885GFER 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.

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