SCHEMBL3918259

SCHEMBL3918259

COC(=O)CN(C(=O)OC(C)(C)C)c1ccc(Cl)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 7/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP19A1 P11511 3/20 0.41
▸ MRGPRX4 Q96LA9 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
SCHEMBL7751027 0.84 NPC1 (0.47) PTGER1CYP2C9ALDH1A1CYP19A1MRGPRX4
SCHEMBL630152 0.79 ALDH1A1 (0.41) ALDH1A1CYP19A1
SCHEMBL2574961 0.76 ALDH1A1 (0.61) ALDH1A1
SCHEMBL2888649 0.76 ALDH1A1 (0.39) PTGER1CYP2C9ALDH1A1MRGPRX4
SCHEMBL12980387 0.74 PTGER1 (0.54) PTGER1CYP2C9MRGPRX4
SCHEMBL3915942 0.73 PTGER1 (0.58) PTGER1CYP2C9CYP19A1MRGPRX4
SCHEMBL28085590 0.73 PTGER1 (0.52) PTGER1ALDH1A1MRGPRX4
SCHEMBL6295798 0.71 MLYCD (0.48) CYP2C9ALDH1A1
SCHEMBL7427088 0.71 MLYCD (0.39) ALDH1A1
SCHEMBL6980928 0.71 MLYCD (0.38) ALDH1A1

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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 — — US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 — — US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 — — EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 — — 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC PTGER1 1215/4885CYP2C9 3326/4885ALDH1A1 2621/4885

“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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