SCHEMBL6078844

SCHEMBL6078844

CCC(C)C1NC(=O)C2CSC(=O)N2C1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GHSR Q92847 5/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6078396 0.85 HDAC4 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL6077282 0.80 HDAC4 (0.30)
SCHEMBL6077657 0.75 GAA (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19GAA
SCHEMBL6077808 0.74 ALDH1A1 (0.36) ALDH1A1CYP2C9CYP2C19GHSR
SCHEMBL6077929 0.73 LMNA (0.37) POLBGAA
SCHEMBL6079054 0.72 ALDH1A1 (0.30) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6077888 0.71 MMP1 (0.35)
SCHEMBL10668988 0.70 HDAC4 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14952774 0.70 HDAC4 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6724348 0.70 HDAC4 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022317-B2 Heterocyclic derivatives of 2-oxothiazolidine-4-carboxylic acid, and use as active photoprotective agents L'OREAL (FR) 2006-04-04 US claimed
US-20050129635-A1 Novel heterocyclic derivatives of 2-oxothiazolidine-4-carboxylic acid, and use as active photoprotective agents L'OREAL S.A. (FR) 2005-06-16 US claimed
EP-1471067-A1 Derivatives of 2-oxothiadiazoline-4-carboxylic acid and its use as active photoprotective agent L'OREAL (FR) 2004-10-27 EP claimed
US-7022317-B2 Heterocyclic derivatives of 2-oxothiazolidine-4-carboxylic acid, and use as active photoprotective agents L'OREAL (FR) 2006-04-04 US disclosed
US-20050129635-A1 Novel heterocyclic derivatives of 2-oxothiazolidine-4-carboxylic acid, and use as active photoprotective agents L'OREAL S.A. (FR) 2005-06-16 US disclosed
EP-1471067-A1 Derivatives of 2-oxothiadiazoline-4-carboxylic acid and its use as active photoprotective agent L'OREAL (FR) 2004-10-27 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-20050129635-A1 Novel heterocyclic derivatives of 2-oxothiazolidine-4-carboxylic acid, and use as active photoprotective agents CUTA, OGDH, TYR ALDH1A1 161/4885CYP3A4 443/4885CYP2C9 257/4885

“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.