SCHEMBL18242534

SCHEMBL18242534

CC([O])c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
CTSS P25774 2/20 0.37
PARP1 P09874 1/20 0.37
CES1 P23141 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CTSK P43235 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NOTUM Q6P988 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL807279 0.83 P2RX7 (0.48) P2RX7CTSSPARP1CES1ALDH1A1
SCHEMBL18242923 0.83 P2RX7 (0.38) P2RX7CA1CA2CA5ACA9
SCHEMBL18378414 0.83 P2RX7 (0.46) P2RX7CTSSPARP1CES1ALDH1A1
SCHEMBL18378263 0.79 P2RX7 (0.36) P2RX7CA1CA2CA5ACA9
SCHEMBL18242281 0.78 P2RX7 (0.35) P2RX7CA1CA2CA5ACA9
SCHEMBL18241887 0.77 P2RX7 (0.36) P2RX7CA2
SCHEMBL25434873 0.77 P2RX7 (0.44) P2RX7CTSSPARP1SMN1; SMN2CA1
SCHEMBL18242434 0.77 P2RX7 (0.44) P2RX7CTSSPARP1CES1CTSK
SCHEMBL1047625 0.76 P2RX7 (0.52) P2RX7ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL18242578 0.76 CES2 (0.38) P2RX7ALDH1A1CA1CA2NOTUM

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 P2RX7 487/4885CTSS 3367/4885PARP1 1166/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 P2RX7 487/4885CTSS 3367/4885PARP1 1166/4885

“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.