SCHEMBL3589461

SCHEMBL3589461

CCOC(=O)[C@@H]1CC[C@@H](c2ccc(F)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
ACHE P22303 4/20 0.39
BCHE P06276 3/20 0.39
FFAR2 O15552 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NR3C2 P08235 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4441921 1.00 TYMS (0.41) TYMSACHEBCHEFFAR2MEN1
SCHEMBL2351853 1.00 TYMS (0.41) TYMSACHEBCHEFFAR2MEN1
SCHEMBL2346142 0.89 ALDH1A1 (0.43) TYMSFFAR2MEN1KMT2AGPR119
SCHEMBL2587508 0.89 FFAR2 (0.38) TYMSFFAR2MEN1KMT2AGPR119
SCHEMBL4437760 0.89 MAOA (0.43) TYMSFFAR2MEN1KMT2AMAPK1
SCHEMBL2348191 0.89 MAOA (0.43) TYMSFFAR2MEN1KMT2AMAPK1
SCHEMBL20835488 0.88 TYMS (0.48) TYMSMEN1KMT2AGPR119
SCHEMBL2584143 0.87 RIPK1 (0.46) TYMSACHEBCHEGPR119ALDH1A1
SCHEMBL4437705 0.85 DPP4 (0.39) TYMSMEN1KMT2AGPR119ALDH1A1
SCHEMBL2351664 0.85 DPP4 (0.39) TYMSMEN1KMT2AGPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA TYMS 1718/4885ACHE 3657/4885BCHE 3229/4885

“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.