SCHEMBL17138441

SCHEMBL17138441

COC(=O)c1cccc(C(F)(C(F)(F)F)C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
P2RX7 Q99572 1/20 0.46
CYP1A2 P05177 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
AHR P35869 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29418940 0.87 P2RX7 (0.61) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
SCHEMBL1111138 0.87 P2RX7 (0.61) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
SCHEMBL29502563 0.85 MAPT (0.50) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
SCHEMBL22836314 0.85 MAPT (0.50) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
SCHEMBL16369847 0.85 MAPT (0.50) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
Methyl Alcohol SCHEMBL17966403 0.85 P2RX7 (0.59) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
SCHEMBL17138421 0.84 MAPT (0.47) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
SCHEMBL17138402 0.83 MAPT (0.46) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
SCHEMBL2627807 0.81 CYP1A2 (0.53) MAPTP2RX7CYP1A2SMN1; SMN2NPC1
SCHEMBL16834606 0.80 MAPT (0.48) MAPTP2RX7CYP1A2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE CATYLIX INC (US) 2015-10-08 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-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE PFAS, AFF2, AFF4 MAPT 3445/4885P2RX7 160/4885CYP1A2 268/4885

“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.