SCHEMBL15705237

SCHEMBL15705237

CC(=O)c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.68
FFAR4 Q5NUL3 1/20 0.68
MAPT P10636 4/20 0.65
KDM4E B2RXH2 1/20 0.65
HPGD P15428 2/20 0.63
GFER P55789 1/20 0.62
POLB P06746 1/20 0.62
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
F2 P00734 1/20 0.60
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
ST14 Q9Y5Y6 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60

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
SCHEMBL14057926 0.92 MAPT (0.74) MAPTKDM4EHPGDPOLBCA12
SCHEMBL14567935 0.88 GFER (0.80) FFAR1FFAR4MAPTHPGDGFER
SCHEMBL15702654 0.88 MAPT (0.83) FFAR1FFAR4MAPTHPGDGFER
SCHEMBL31596007 0.83 FFAR1 (0.76) FFAR1FFAR4MAPTGFERPOLB
SCHEMBL4090549 0.83 MAPT (0.70) MAPTHPGDCA12CA9HDAC3
SCHEMBL5317270 0.82 CA12 (0.63) FFAR1FFAR4MAPTHPGDGFER
SCHEMBL5316220 0.82 MAPT (0.68) MAPTHPGDGFERPOLBCA12
SCHEMBL4806773 0.81 HDAC1 (0.72) FFAR4MAPTHPGDCA12CA9
SCHEMBL4814781 0.81 HDAC1 (0.72) FFAR4MAPTHPGDCA12CA9
SCHEMBL3138940 0.81 HPGD (0.79) MAPTHPGDPOLBKMT2AALDH1A1

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-20140128352-A1 COMPOUNDS AND METHODS FOR MODULATING MITOCHONDRIAL METABOLISM AND REACTIVE OXYGEN SPECIES PRODUCTION BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2014-05-08 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-20140128352-A1 COMPOUNDS AND METHODS FOR MODULATING MITOCHONDRIAL METABOLISM AND REACTIVE OXYGEN SPECIES PRODUCTION PC, PCK2, TXNRD2 FFAR1 987/4885FFAR4 1076/4885MAPT 2501/4885

“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.