SCHEMBL14886017

SCHEMBL14886017

O=C(Nc1cccc(C(F)(F)F)c1C(F)(F)F)c1cc(Cl)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 13/20 0.65
▸ P2RX1 P51575 6/20 0.59
▸ P2RX4 Q99571 4/20 0.59
▸ P2RX7 Q99572 4/20 0.59
▸ SLC2A1 P11166 1/20 0.59
▸ KCNMA1 Q12791 1/20 0.58
▸ KDR P35968 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ IKBKB O14920 1/20 0.56
▸ CHUK O15111 1/20 0.56
▸ FLT3 P36888 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MYLK Q15746 1/20 0.56
▸ MAP4K5 Q9Y4K4 1/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.53
▸ TAS1R1 Q7RTX1 1/20 0.53
▸ TAS1R2 Q8TE23 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52

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
SCHEMBL30771738 0.88 TMPRSS4 (0.73) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL329995 0.88 TMPRSS4 (0.73) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL330187 0.88 TMPRSS4 (0.65) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL330371 0.86 TMPRSS4 (0.68) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL4264823 0.83 TMPRSS4 (0.72) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL1704851 0.82 TMPRSS4 (0.67) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL15341600 0.80 ACMSD (0.52) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL28916379 0.79 TMPRSS4 (0.60) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL330413 0.79 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL5066868 0.79 TMPRSS4 (0.81) TMPRSS4P2RX1P2RX4P2RX7SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 — — US disclosed
WO-2013058613-A2 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT 한국생명공학연구원 (KR) 2013-04-25 — — 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-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT TMPRSS2, TMPRSS4, PRSS2 TMPRSS4 2/4885P2RX1 4273/4885P2RX4 3330/4885

“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.

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