SCHEMBL3237464

SCHEMBL3237464

CCOC(=O)c1cc(Nc2ccccc2)c(C(=O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CTSV O60911 2/20 0.52
CTSL P07711 2/20 0.52
MAPT P10636 4/20 0.50
GFER P55789 1/20 0.50
NGLY1 Q96IV0 1/20 0.50
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
TSHR P16473 2/20 0.46
SPR P35270 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CDC25B P30305 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAP2K1 Q02750 1/20 0.44

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
SCHEMBL8529855 0.91 ATM (0.58) ATMMAPTGFERNGLY1AKR1C3
SCHEMBL5846272 0.86 ATM (0.62) ATMMAPTGFERNGLY1AKR1C3
SCHEMBL8834499 0.85 ATM (0.58) ATMMAPTGFERNGLY1AKR1C3
SCHEMBL3234696 0.83 MAPT (0.65) CTSVCTSLMAPTGFERNGLY1
SCHEMBL4091574 0.81 AKR1C3 (0.57) ATMMAPTGFERNGLY1AKR1C3
SCHEMBL3237457 0.81 MAPT (0.62) ATMCTSVCTSLMAPTGFER
SCHEMBL8834296 0.79 MAPT (0.50) ATMMAPTAKR1C3AKR1C2TSHR
SCHEMBL3236741 0.79 AKR1C3 (0.57) ATMAKR1C3AKR1C2CDC25BPOLB
SCHEMBL2008034 0.78 MAPT (0.71) ATMMAPTTSHRLMNAMAPK1
SCHEMBL8834060 0.78 AKR1C3 (0.59) ATMCTSVCTSLMAPTAKR1C3

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 7 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
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 ATM 2003/4885CTSV 4014/4885CTSL 2403/4885

“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.