SCHEMBL2471778

SCHEMBL2471778

CCOC(=O)C(F)(F)c1ccc(Br)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CES2 O00748 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL26963026 0.88 ALDH1A1 (0.41) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL31466493 0.87 NPSR1 (0.40) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL17713115 0.87 NPSR1 (0.40) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL17713119 0.87 ALDH1A1 (0.40) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL30452081 0.85 ALDH1A1 (0.43) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL16771895 0.85 ALDH1A1 (0.43) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL23411878 0.84 LMNA (0.43) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL29723251 0.84 LMNA (0.43) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL17420548 0.83 MAPT (0.43) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL30644251 0.82 SCN9A (0.37) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 ALDH1A1 1042/4885LMNA 3702/4885NPSR1 136/4885

“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.