SCHEMBL6618412

SCHEMBL6618412

CCC(C)(C)c1cc(-c2cccc(C=O)c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 16/20 0.47
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ XDH P47989 1/20 0.40
▸ ALDH5A1 P51649 1/20 0.40
▸ ABAT P80404 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.38

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
SCHEMBL6706844 0.81 ERN1 (0.42) ERN1
SCHEMBL6704819 0.79 GSK3B (0.53) CRHBPCRHR2
SCHEMBL6704827 0.79 GSK3B (0.53) CRHBPCRHR2
SCHEMBL6618043 0.78 TRIM24 (0.46) ERN1ALDH5A1ABAT
SCHEMBL6704722 0.71 CA2 (0.43) ERN1CRHBPCRHR2
SCHEMBL2553315 0.68 TRIM24 (0.56) ERN1CRHBPCRHR2ALDH5A1ABAT
SCHEMBL4078626 0.68 XDH (0.63) ERN1XDHALDH5A1ABAT
SCHEMBL9807400 0.67 CYP1A2 (0.45) —
SCHEMBL13840638 0.67 CA2 (0.47) CRHBPCRHR2
SCHEMBL6623060 0.67 TRIM24 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463718-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER Incyte San Diego Incorporated (US) 2004-10-06 — — EP disclosed
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer INCYTE SAN DIEGO INCORPORATED 2004-05-20 — — US disclosed
WO-2003050098-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER INCYTE SAN DIEGO INCORPORATED (US) 2003-06-19 — — 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-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer PTPA, PTPRC, PTPRCAP ERN1 3033/4885CRHBP 3440/4885CRHR2 3000/4885

“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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