SCHEMBL6311345

SCHEMBL6311345

CCOc1ccc2nc(SCC(C(=O)OCc3ccc(Cl)c(C(F)(F)F)c3)C(O)c3cccnc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARA Q07869 3/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.40
CCR1 P32246 1/20 0.40
CCR3 P51677 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3067397 0.95 MAPT (0.37) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL3061679 0.88 PPARA (0.39) MAPTLMNAPPARAL3MBTL1TP53
SCHEMBL3069248 0.82 CNR2 (0.37) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3061593 0.82 ADRB3 (0.36) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL6309522 0.79 MAPT (0.38) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3074998 0.76 MEN1 (0.40) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL3075097 0.76 MEN1 (0.40) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL3075544 0.75 ALDH1A1 (0.41) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL3067161 0.73 KCNA5 (0.39) MAPTALDH1A1HTTL3MBTL1TDP1
SCHEMBL3076028 0.72 FFAR1 (0.37) MAPTHPGDMEN1KMT2AALDH1A1

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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR MAPT 4435/4885LMNA 3281/4885HPGD 3592/4885

“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.