SCHEMBL17779272

SCHEMBL17779272

Nc1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 9/20 0.71
TMPRSS4 Q9NRS4 9/20 0.71
P2RX4 Q99571 4/20 0.71
P2RX7 Q99572 4/20 0.71
PTGS1 P23219 6/20 0.64
MEN1 O00255 1/20 0.56
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
KDR P35968 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
SMN1; SMN2 Q16637 1/20 0.52
SLC2A1 P11166 1/20 0.52
PLG P00747 1/20 0.52
KLKB1 P03952 1/20 0.52
KLK1 P06870 1/20 0.52
KLK6 Q92876 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL130210 0.89 P2RX1 (0.74) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL17774881 0.86 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL17774842 0.85 P2RX1 (0.73) P2RX1TMPRSS4P2RX4P2RX7PTGS1
SCHEMBL18146038 0.84 JAK2 (0.67) P2RX1TMPRSS4P2RX4P2RX7PTGS1
SCHEMBL24824532 0.84 P2RX1 (0.79) P2RX1TMPRSS4P2RX4P2RX7PTGS1
SCHEMBL30771749 0.83 TMPRSS4 (0.80) P2RX1TMPRSS4P2RX4P2RX7PTGS1
SCHEMBL17845892 0.83 TMPRSS4 (0.80) P2RX1TMPRSS4P2RX4P2RX7PTGS1
SCHEMBL331631 0.83 TMPRSS4 (1.00) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL24460414 0.83 P2RX1 (0.80) P2RX1TMPRSS4P2RX4P2RX7PTGS1
SCHEMBL29617517 0.83 TMPRSS4 (1.00) P2RX1TMPRSS4P2RX4P2RX7MEN1

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-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR P2RX1 4730/4885TMPRSS4 2040/4885P2RX4 4752/4885

“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.