SCHEMBL4928355

SCHEMBL4928355

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 18/20 0.76
TMPRSS4 Q9NRS4 9/20 0.76
P2RX7 Q99572 6/20 0.76
P2RX4 Q99571 5/20 0.76
MEN1 O00255 1/20 0.63
IKBKB O14920 1/20 0.63
CHUK O15111 1/20 0.63
KDR P35968 1/20 0.63
FLT3 P36888 1/20 0.63
KMT2A Q03164 1/20 0.63
MYLK Q15746 1/20 0.63
MAP4K5 Q9Y4K4 1/20 0.63
P2RX3 P56373 1/20 0.59

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
SCHEMBL23303570 0.88 P2RX1 (0.60) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL130439 0.88 P2RX1 (0.81) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL23303864 0.87 P2RX1 (0.71) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL23303863 0.87 P2RX1 (0.59) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL15934966 0.87 P2RX1 (0.80) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL130143 0.87 P2RX1 (1.00) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL127962 0.84 P2RX1 (1.00) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL9327576 0.84 P2RX1 (0.59) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL3284516 0.83 P2RX1 (0.71) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL16707261 0.81 P2RX1 (0.71) P2RX1TMPRSS4P2RX7P2RX4MEN1

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 5 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 claimed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US claimed
US-9266872-B2 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) 2016-02-23 US disclosed
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 (2 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 P2RX1 2484/4885TMPRSS4 4322/4885P2RX7 2360/4885
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 P2RX1 4273/4885TMPRSS4 2/4885P2RX7 4289/4885

“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.