SCHEMBL2134422

SCHEMBL2134422

CCc1cc(OCCCC(NC(=O)O)C(C)(C)C)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.40
ALOX5 P09917 3/20 0.40
PTGES O14684 2/20 0.40
PPARA Q07869 4/20 0.39
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
P4HB P07237 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 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
SCHEMBL2132595 0.79 CXCR2 (0.37) PPARGALOX5PTGESPPARATDP1
SCHEMBL2721920 0.75 L3MBTL1 (0.49) ALDH1A1KDM4EL3MBTL1P4HBNPSR1
SCHEMBL13652565 0.73 CA12 (0.47) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2133616 0.71 BRD4 (0.55)
SCHEMBL2133555 0.71 L3MBTL1 (0.44) KMT2AALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL2134432 0.71 KDM4E (0.42) PPARAMEN1KMT2AALDH1A1KDM4E
SCHEMBL22483601 0.70 CA12 (0.47) KMT2AALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL2721919 0.70 KDM4E (0.52) MEN1KMT2AALDH1A1KDM4EP4HB
SCHEMBL2136395 0.70 L3MBTL1 (0.62) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL31111406 0.70 L3MBTL1 (0.50) ALDH1A1KDM4EL3MBTL1TSHRP4HB

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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 PPARG 892/4885ALOX5 552/4885PTGES 1159/4885

“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.