SCHEMBL1743280

SCHEMBL1743280

CC(F)(F)c1ccc(CO)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.39
TRPV4 Q9HBA0 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
DAO P14920 3/20 0.34
RXRA P19793 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
PPARD Q03181 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL29323904 0.85 CYP2C19 (0.46) NPC1RAB9A
SCHEMBL619744 0.84 CCR9 (0.40) TKTEGLN2CA12CA1CA2
SCHEMBL132198 0.84 TRPV4 (0.52) TKTTRPV4EGLN2DAOPPARD
SCHEMBL29525326 0.84 TRPV4 (0.52) TKTTRPV4EGLN2DAOPPARD
SCHEMBL12266677 0.82 KDM4E (0.41) TKTTRPV4CA2DAORXRA
SCHEMBL8927734 0.81 TRPV4 (0.35) TKTTRPV4DAOGRIN1GRIN2B
SCHEMBL14552496 0.81 ESR1 (0.41) TKTTRPV4DAOGRIN1GRIN2B
SCHEMBL27975333 0.81 TRPV4 (0.35) TKTTRPV4DAOGRIN1GRIN2B
SCHEMBL8190374 0.81 LOXL2 (0.42) TKTTRPV4CA12CA1CA2
SCHEMBL17403389 0.79 CA12 (0.33) TKTCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721021-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS NC INC (US) 2019-01-23 EP disclosed
EP-2721020-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS NC INC (US) 2019-01-23 EP disclosed
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 TKT 485/4885TRPV4 3234/4885EGLN2 1600/4885

“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.