SCHEMBL2796935

SCHEMBL2796935

CCC(C(=O)O)n1nc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 5/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ORAI1 Q96D31 2/20 0.36
KLKB1 P03952 1/20 0.36
RAB9A P51151 1/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1119997 0.93 GRN (0.39) MAPTALDH1A1KDM4EPKMLMNA
SCHEMBL1120194 0.91 KDM4E (0.38) MAPTALDH1A1KDM4EPKMLMNA
SCHEMBL15484996 0.86 KDM4E (0.46) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL1120080 0.85 KDM4E (0.37) MAPTALDH1A1KDM4EPKMLMNA
SCHEMBL1186768 0.83 MAPT (0.40) MAPTALDH1A1KDM4EPKMLMNA
SCHEMBL1120112 0.81 GRN (0.37) MAPTALDH1A1KDM4EHPGDMAPK1
SCHEMBL1120262 0.81 KDM4E (0.36) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL14487490 0.80 CRACR2A (0.44) POLBORAI1
SCHEMBL1120063 0.79 KLKB1 (0.36) ALDH1A1KDM4ELMNAPOLBTSHR
SCHEMBL29427406 0.78 GAA (0.32) MAPTALDH1A1PKMLMNAPOLB

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-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-01 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-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES HPD, HAAO, HCAR2 MAPT 3950/4885ALDH1A1 475/4885KDM4E 1581/4885

“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.