SCHEMBL7253915

SCHEMBL7253915

CCOC(=O)c1[nH]c(C)c(NC(=O)OC(C)(C)C)c1OC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HPGD P15428 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ IGF1R P08069 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL8183536 0.88 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19TSHRHPGD
SCHEMBL18209663 0.73 PDE4D (0.45) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL28896549 0.72 KDM4E (0.40) HPGDKDM4EHTTALDH1A1IGF1R
SCHEMBL7053250 0.71 ATR (0.36) ALDH1A1
SCHEMBL28896192 0.70 KDM4E (0.39) HPGDKDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL28111801 0.70 KDM4E (0.74) TSHRHPGDKDM4EHTTALDH1A1
SCHEMBL28896742 0.69 KDM4E (0.42) CYP1A2CYP2C9HPGDKDM4EHTT
SCHEMBL6835125 0.69 MKNK2 (0.36) TSHRALDH1A1LMNA
SCHEMBL28896248 0.68 IGF1R (0.41) HPGDKDM4EHTTALDH1A1IGF1R
SCHEMBL12495777 0.68 LMNA (0.41) CYP1A2CYP2C9CYP2C19TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6632950-B2 By reducing the corresponding 4-nitro derivative; useful as monomers for polyamides capable of binding dsDNA (double stranded DNA) and hence in nucleotide sequence recognition PHARMACIA CORPORATION 2003-10-14 — — US disclosed
US-20020042522-A1 Process for the preparation of derivative of 4-amino-3-hydroxypyrrole-2-carboxylic acid PHARMACIA CORPORATION 2002-04-11 — — US 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-20020042522-A1 Process for the preparation of derivative of 4-amino-3-hydroxypyrrole-2-carboxylic acid LIG4, POLL, HPD CYP1A2 1746/4885CYP2C9 1067/4885CYP2C19 1423/4885

“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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