SCHEMBL864646

SCHEMBL864646

C[C@@H](c1ccc(OC(=O)OC(C)(C)C)cc1F)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
PTPN1 P18031 1/20 0.40
ELANE P08246 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KDM1A O60341 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ACE P12821 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MMP13 P45452 1/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL865257 0.90 MAPT (0.41) TRPA1PTPN1ELANEKDM4EGLA
SCHEMBL10101202 0.81 HRH2 (0.36) TRPA1KDM4EGLAGAAMAPT
SCHEMBL1724713 0.80 SMN1; SMN2 (0.36) TRPA1ELANEKDM4EGLAGAA
SCHEMBL2893730 0.74 TRPA1 (0.43) TRPA1PTPN1CTSSCTSKAAK1
SCHEMBL3818824 0.73 PPARG (0.43) TRPA1PTPN1KDM4EHPGDPTGS1
SCHEMBL4683822 0.72 CTSK (0.46) TRPA1KDM4ECTSSCTSKGABRB1
SCHEMBL17286544 0.72 ELANE (0.57) ELANEGAAMAPTKDM1A
SCHEMBL32691157 0.71 AAK1 (0.44) TRPA1PTPN1CTSSCTSKAAK1
SCHEMBL31094796 0.71 PPARA (0.40) TRPA1GAAMAPTCTSSCTSK
SCHEMBL16448169 0.71 PPARG (0.48) TRPA1KDM4EHPGDPTGS1PTGS2

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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 TRPA1 1538/4885PTPN1 3970/4885ELANE 3354/4885

“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.