SCHEMBL4944753

SCHEMBL4944753

Cc1ccc2c(c1)OC(F)(F)C(N)(F)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
MMP12 P39900 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ATM Q13315 2/20 0.32
RAD52 P43351 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
HTT P42858 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL423132 0.86 KIF11 (0.40) KIF11MMP12ALDH1A1GAAMAPT
SCHEMBL9062743 0.79 MMP12 (0.35) KIF11MMP12HTR1ASLC6A2HTR2C
SCHEMBL14819 0.78 CTNNB1 (0.41) KIF11MMP12KDM4EATMRAD52
SCHEMBL2666085 0.76 TSHR (0.37) MMP12HTR1ASLC6A2HTR2CHTR2B
SCHEMBL4945878 0.76 LMNA (0.32) KIF11HTT
SCHEMBL25841010 0.75 KDM4E (0.34) MMP12ALDH1A1GAAMAPTHSD17B10
SCHEMBL21583090 0.75 KDM4E (0.34) MMP12ALDH1A1GAAMAPTHSD17B10
SCHEMBL22270769 0.73 MAPT (0.36) MMP12MAPTKDM4EATMRAD52
SCHEMBL15869808 0.71 KDM4E (0.43) MMP12HTR1ASLC6A2HTR2CHTR2B
SCHEMBL8167005 0.71 TSHR (0.59) KIF11MMP12HTR1ASLC6A2HTR2C

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
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 KIF11 3982/4885MMP12 4696/4885HTR1A 967/4885

“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.