SCHEMBL3637113

SCHEMBL3637113

O=C(O)c1nc2ccc(C(F)(F)F)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
ALDH1A1 P00352 2/20 0.45
TBK1 Q9UHD2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 2/20 0.40
PPARA Q07869 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
DYRK1A Q13627 1/20 0.39
BACE1 P56817 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL3639187 0.88 PIM1 (0.55) PIM1PIM2ALDH1A1TBK1KDM4E
SCHEMBL3640199 0.79 DAGLA (0.56) ALDH1A1DHODHDAGLAHDAC6
SCHEMBL3644640 0.78 PIM1 (0.55) PIM1SMN1; SMN2HSD17B10DHODHEGLN1
SCHEMBL4346194 0.77 ESR1 (0.53) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6209242 0.76 MAPT (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL3641151 0.76 XDH (0.55) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11167008 0.76 XDH (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL3638526 0.76 DAGLA (0.56) PIM1ALDH1A1TBK1KDM4EHPGD
SCHEMBL19914273 0.75 ALDH1A1 (0.56) PIM1PIM2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL18755165 0.73 BACE1 (0.42) PIM1PIM2ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 PIM1 4763/4885PIM2 3595/4885ALDH1A1 834/4885

“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.