SCHEMBL6309136

SCHEMBL6309136

O=C(Oc1cccc(C(F)(F)F)c1)C(C(=O)c1cccnc1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.41
CSF1R P07333 2/20 0.40
TBXAS1 P24557 2/20 0.40
BRAF P15056 1/20 0.40
TBXA2R P21731 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR132 Q9UNW8 1/20 0.37
VNN1 O95497 1/20 0.37

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
SCHEMBL3066675 0.85 ALDH1A1 (0.49) TSHRKMT2AMEN1CYP1A2CYP2C9
SCHEMBL3080052 0.84 KMT2A (0.50) TSHRKMT2AMEN1RXFP1CSF1R
SCHEMBL3069214 0.81 NPC1 (0.42) TSHRKMT2AALDH1A1KDM4EMAPT
SCHEMBL3068551 0.79 KMT2A (0.43) TSHRKMT2AMEN1ALDH1A1NPSR1
SCHEMBL3066591 0.78 ALDH1A1 (0.47) TSHRKMT2AMEN1CYP1A2CYP2C9
SCHEMBL3079297 0.68 KCNA5 (0.46) TSHRKMT2AMEN1RXFP1TBXAS1
SCHEMBL3078379 0.68 ALDH1A1 (0.53) TSHRKMT2AMEN1CYP1A2CYP2C9
SCHEMBL10841345 0.67 CES2 (0.72) TSHRKMT2AMEN1RXFP1CSF1R
SCHEMBL9002252 0.67 TSHR (0.64) TSHRKMT2AMEN1RXFP1CSF1R
SCHEMBL3061843 0.67 FFAR1 (0.43) TSHRALDH1A1GAAL3MBTL1VNN1

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 TSHR 907/4885KMT2A 1213/4885MEN1 1608/4885

“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.