SCHEMBL3237457

SCHEMBL3237457

COC(=O)c1cc(Nc2ccccc2)c(C(=O)OC)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
ALOX15 P16050 1/20 0.62
AKR1C3 P42330 4/20 0.51
AKR1C2 P52895 4/20 0.51
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.46
NGLY1 Q96IV0 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
KDM4E B2RXH2 3/20 0.46
CXCR2 P25025 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8529851 0.91 MAPT (0.74) MAPTALOX15AKR1C3AKR1C2ALDH1A1
SCHEMBL4257100 0.86 MAPT (0.68) MAPTALOX15AKR1C3AKR1C2ALDH1A1
SCHEMBL5809618 0.84 MAPT (0.74) MAPTALOX15AKR1C3AKR1C2ALDH1A1
SCHEMBL14349364 0.83 MAPT (0.64) MAPTALOX15AKR1C3AKR1C2ALDH1A1
SCHEMBL1958267 0.82 MAPT (0.67) MAPTALOX15AKR1C3AKR1C2ALDH1A1
SCHEMBL3237464 0.81 ATM (0.52) MAPTALOX15AKR1C3AKR1C2GFER
SCHEMBL3234696 0.81 MAPT (0.65) MAPTALOX15AKR1C3AKR1C2ALDH1A1
SCHEMBL16608985 0.80 MAPT (0.55) MAPTALOX15AKR1C3AKR1C2ALDH1A1
SCHEMBL20745817 0.80 KDM4E (0.65) MAPTALOX15AKR1C3AKR1C2ALDH1A1
SCHEMBL15131717 0.78 KDM4E (0.59) MAPTALOX15AKR1C3AKR1C2ALDH1A1

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-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 EP disclosed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 EP disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1458392-A4 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-08 EP disclosed
EP-1458392-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed
WO-2003059269-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-24 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-20040053955-A1 Acridone inhibitors of IMPDH enzyme IMPDH2, IMPDH1, XDH MAPT 4322/4885ALOX15 2432/4885AKR1C3 77/4885

“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.