SCHEMBL4768337

SCHEMBL4768337

CCOC(=O)CC(=O)NCC(C(=O)OCC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.47
CASR P41180 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PPID Q08752 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL4772501 0.91 CYP3A4 (0.47) MMP8CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL21331938 0.85 ALOX15 (0.46) TSHRL3MBTL1SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7137164 0.84 MMP2 (0.47) MMP8CYP3A4CYP2D6CYP2C19CASR
SCHEMBL6655475 0.84 MTNR1A (0.51) MMP8CASRGAASMN1; SMN2ALDH1A1
SCHEMBL11489742 0.80 MMP8 (0.54) MMP8CYP2D6CASRGAAL3MBTL1
SCHEMBL11494074 0.79 MMP8 (0.53) MMP8CASRGAAL3MBTL1TDP1
SCHEMBL512494 0.79 CYP3A4 (0.49) MMP8CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1244623 0.79 TSHR (0.55) MMP8TSHRGAASMN1; SMN2ALDH1A1
SCHEMBL7310621 0.78 HSD17B10 (0.59) L3MBTL1SMN1; SMN2MAPTHTTLMNA
Oxalic Acid SCHEMBL10964286 0.77 CYP3A4 (0.47) MMP8CYP3A4CYP2D6CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660085-B1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-10-15 EP disclosed
EP-1660475-B1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP disclosed
US-7279575-B2 Pyrimidylpyrrole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2007-10-09 US disclosed
EP-1660085-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
EP-1660475-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
US-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
WO-2005014572-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 WO disclosed
WO-2005013986-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 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 (2 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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 MMP8 4680/4885CYP3A4 1859/4885CYP2D6 1374/4885
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors TYMP, DTYMK, DCK MMP8 4702/4885CYP3A4 1791/4885CYP2D6 1196/4885

“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.