SCHEMBL6820524

SCHEMBL6820524

CCCC(NC(=O)OC(C)(C)C)C(=O)Nc1nccs1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 4/20 0.61
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CTSK P43235 4/20 0.50
CTSS P25774 2/20 0.50
FFAR2 O15552 1/20 0.50
CTSL P07711 1/20 0.49
METAP1 P53582 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.45
HSPA2 P54652 1/20 0.45

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
SCHEMBL14418794 0.82 ALDH1A1 (0.52) HSPA5ALDH1A1CTSKMETAP1L3MBTL1
SCHEMBL2513951 0.81 ALDH1A1 (0.46) HSPA5ALDH1A1METAP1SMN1; SMN2HSPA2
SCHEMBL2659403 0.81 CTSK (0.55) CTSKCTSSFFAR2METAP1
SCHEMBL12228038 0.81 CTSK (0.55) CTSKCTSSFFAR2METAP1
SCHEMBL7384478 0.81 HSPA5 (0.62) HSPA5FFAR2METAP1L3MBTL1HSPA2
SCHEMBL7385636 0.81 HSPA5 (0.62) HSPA5ALDH1A1CTSKCTSSMETAP1
SCHEMBL6826168 0.81 PSEN1 (0.53) CTSKCTSS
SCHEMBL7382573 0.80 METAP1 (0.52) HSPA5ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6824738 0.80 PSEN1 (0.53) CTSKCTSSFFAR2SMN1; SMN2
SCHEMBL5128729 0.79 PSEN1 (0.72)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP HSPA5 1208/4885ALDH1A1 590/4885CYP1A2 3772/4885

“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.