SCHEMBL2473673

SCHEMBL2473673

COC(=O)CCc1cc(C)c(Br)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL12808519 0.89 NPSR1 (0.61) NPSR1HPGDTSHRALDH1A1KMT2A
SCHEMBL4183452 0.84 NPSR1 (0.43) NPSR1HPGDTSHRALDH1A1KMT2A
SCHEMBL7098144 0.83 PDGFRB (0.46) NPSR1HPGDALDH1A1KMT2AKDM4E
SCHEMBL1014039 0.83 NPSR1 (0.42) NPSR1HPGDTSHRALDH1A1KMT2A
SCHEMBL14531013 0.81 NPSR1 (0.52) NPSR1HPGDTSHRALDH1A1KMT2A
SCHEMBL2473385 0.81 NPSR1 (0.78) NPSR1TSHRL3MBTL1HSD17B10THRA
SCHEMBL2471621 0.80 NPSR1 (0.46) NPSR1HPGDTSHRALDH1A1KMT2A
SCHEMBL5582368 0.79 HPGD (0.50) NPSR1HPGDALDH1A1KMT2AMEN1
SCHEMBL23048383 0.78 PDE3B (0.50) NPSR1TSHRALDH1A1PDE3BPDE3A
SCHEMBL13775010 0.77 NPSR1 (0.38) NPSR1HPGDKMT2AMEN1CYP1A2

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 136/4885HPGD 1352/4885TSHR 720/4885

“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.