SCHEMBL18378263

SCHEMBL18378263

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
ELANE P08246 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL18242281 0.94 P2RX7 (0.35) P2RX7CA1CA2CA5ACA9
SCHEMBL18242923 0.88 P2RX7 (0.38) P2RX7CA1CA2CA5ACA9
SCHEMBL18242045 0.85 P2RX7 (0.34) P2RX7ELANE
SCHEMBL18241977 0.80 P2RX7 (0.33) P2RX7
SCHEMBL18243970 0.80 CYP2D6 (0.34) P2RX7ELANE
SCHEMBL18242534 0.79 P2RX7 (0.48) P2RX7CA1CA2CA5ACA9
SCHEMBL18241982 0.79
SCHEMBL18242565 0.79 P2RX7 (0.39) P2RX7ELANECA1CA2CA5A
SCHEMBL18242256 0.79 KCNJ11 (0.43) ELANE
SCHEMBL18242183 0.78 TAS1R3 (0.31)

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 487/4885ELANE 1630/4885CA1 719/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 P2RX7 487/4885ELANE 1630/4885CA1 719/4885

“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.