SCHEMBL2471508

SCHEMBL2471508

Cc1cc(Br)ccc1N(CC(F)F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 4/20 0.34
PTK2 Q05397 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 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
SCHEMBL14635737 0.78 TRPM8 (0.52) ALDH1A1LMNAMAPTKMT2ACYP1A2
SCHEMBL20660751 0.73 ALDH1A1 (0.39) HRH4ALDH1A1LMNAMAPTKMT2A
SCHEMBL24685332 0.72 TSHR (0.40) ALDH1A1LMNAMAPTKMT2ACYP1A2
SCHEMBL1029127 0.70 KEAP1 (0.39) ALDH1A1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL728476 0.69 KMT2A (0.35) HRH4ALDH1A1LMNAMAPTKMT2A
SCHEMBL2191688 0.69 RAB9A (0.37) HRH4ALDH1A1LMNAMAPTKMT2A
SCHEMBL23576755 0.69 HPGD (0.31) ALDH1A1LMNAKMT2AMEN1GPBAR1
SCHEMBL2553564 0.68 PTK2 (0.44) ALDH1A1LMNAMAPTPTK2RAB9A
SCHEMBL27465073 0.68 ALDH1A1 (0.34) HRH4ALDH1A1LMNAMAPTKMT2A
SCHEMBL12301185 0.66 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTKMT2AMEN1

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 3 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
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

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 CA1 4588/4885CA2 3656/4885HRH4 321/4885

“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.