SCHEMBL2473385

SCHEMBL2473385

Cc1cc(CCC(=O)O)c(C)cc1Br

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.78
THRA P10827 8/20 0.47
THRB P10828 8/20 0.47
FFAR4 Q5NUL3 3/20 0.42
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
SLC6A3 Q01959 1/20 0.37
FFAR1 O14842 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL5200035 0.84 NPSR1 (0.59) NPSR1THRATHRBFFAR4POLB
SCHEMBL10937131 0.84 NPSR1 (0.91) NPSR1FFAR4POLBL3MBTL1RXRA
SCHEMBL23286929 0.81 NPSR1 (0.48) NPSR1THRATHRBPOLBRXRA
SCHEMBL29605526 0.81 NPSR1 (0.48) NPSR1THRATHRBPOLBRXRA
SCHEMBL2473673 0.81 NPSR1 (0.50) NPSR1THRATHRBL3MBTL1TSHR
SCHEMBL14430309 0.77 NPSR1 (0.59) NPSR1THRATHRBFFAR4POLB
SCHEMBL18830689 0.76 THRA (0.56) NPSR1THRATHRBFFAR4FFAR1
SCHEMBL12442303 0.76 NPSR1 (0.63) NPSR1THRATHRBFFAR4POLB
SCHEMBL4817531 0.76 NPSR1 (0.63) NPSR1THRATHRBFFAR4POLB
SCHEMBL3678217 0.75 NPSR1 (0.72) NPSR1FFAR4POLBRXRARXRB

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 NPSR1 136/4885THRA 1322/4885THRB 581/4885

“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.