SCHEMBL12570643

SCHEMBL12570643

CCS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.58
PSIP1 O75475 2/20 0.52
GAA P10253 1/20 0.52
KIF11 P52732 1/20 0.50
PTGS1 P23219 3/20 0.48
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK2 O60674 1/20 0.45
MEP1B Q16820 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MLNR O43193 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.44

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
Fluoresone SCHEMBL24999 0.93 PSIP1 (0.58) PTGS2PSIP1GAAHTTKMT2A
SCHEMBL7865484 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL10455034 0.81 PSIP1 (0.74) PSIP1GAALMNAHTTSMN1; SMN2
SCHEMBL5134257 0.80 PSIP1 (0.74) PTGS2PSIP1GAA
SCHEMBL293991 0.80 PSIP1 (0.74) PTGS2PSIP1GAA
SCHEMBL8993411 0.79 PTGS2 (0.46) PTGS2PSIP1GAAPTGS1
SCHEMBL1368369 0.78 L3MBTL1 (0.53) PTGS2GAAHTTKMT2APAX8
SCHEMBL5049079 0.78 PSIP1 (0.52) PTGS2PSIP1GAAKIF11PTGS1
SCHEMBL5133527 0.78 PSIP1 (0.52) PTGS2PSIP1GAAKIF11PTGS1
SCHEMBL904021 0.77 KIF11 (0.57) PTGS2PSIP1GAAKIF11LMNA

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-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 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-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PTGS2 3377/4885PSIP1 1500/4885GAA 151/4885

“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.