SCHEMBL2223140

SCHEMBL2223140

O=C(NCc1ccc(F)c(Br)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
PTPN7 P35236 2/20 0.43
DUSP3 P51452 2/20 0.43
IDO1 P14902 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
PTPN1 P18031 1/20 0.39
FAAH O00519 1/20 0.39
MMP13 P45452 1/20 0.39
CNR1 P21554 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
P2RX7 Q99572 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL19643323 0.85 IDO1 (0.44) IDO1CA1CA2SMN1; SMN2
SCHEMBL13885072 0.83 MEP1B (0.46) CNR2PTPN7DUSP3MMP13
SCHEMBL52399 0.82 MMP13 (0.44) PTPN7DUSP3IDO1FPR3FPR2
SCHEMBL149307 0.81 HDAC1 (0.50) PTPN1MMP13HDAC6
SCHEMBL14966524 0.80 NR1H4 (0.48) CNR2MMP13
SCHEMBL8187730 0.80 ALDH1A1 (0.52) SMN1; SMN2HDAC6
SCHEMBL20289377 0.78 TGM2 (0.54) CA1CA2SMN1; SMN2HDAC6
SCHEMBL51488 0.77 GRM2 (0.47) IDO1FPR3FPR2CA1CA2
SCHEMBL30457513 0.77 GRM2 (0.47) IDO1FPR3FPR2CA1CA2
SCHEMBL232868 0.76 MTOR (0.59)

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-2516428-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-20 US disclosed
US-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-20 US disclosed
US-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-20 US disclosed
WO-2011087652-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-07-21 WO disclosed
WO-2011087652-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-07-21 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-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 CNR2 326/4885PTPN7 3821/4885DUSP3 4512/4885

“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.