SCHEMBL2991548

SCHEMBL2991548

OCCNCc1cccc(Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CA2 P00918 7/20 0.47
ACHE P22303 1/20 0.47
CA12 O43570 6/20 0.44
USP28 Q96RU2 2/20 0.43
USP25 Q9UHP3 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
CA9 Q16790 5/20 0.42
KDM4E B2RXH2 2/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MPO P05164 1/20 0.41

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
SCHEMBL16619192 0.83 ALDH1A1 (0.51) ALDH1A1CA2CA12USP28USP25
SCHEMBL20962611 0.76 ALDH1A1 (0.59) ALDH1A1CA2CA12USP28USP25
SCHEMBL10557019 0.75 CA2 (0.41) HTR2AHTR2CCA2ACHE
SCHEMBL7943010 0.75 GSR (0.55) ALDH1A1CA2CA12LMNACA9
SCHEMBL1450337 0.74 CA2 (0.44) CA2ACHELMNAKDM4ECD274
SCHEMBL22513302 0.74 PDCD1LG2 (0.45) ALDH1A1USP28USP25LMNASMN1; SMN2
SCHEMBL1436928 0.73 CA12 (0.80) CA2CA12CA9KDM4ETSHR
SCHEMBL29566183 0.73 CA12 (0.80) CA2CA12CA9KDM4ETSHR
SCHEMBL4716056 0.73 CA12 (0.52) ALDH1A1CA2CA12CA9KDM4E
Hydrochloric Acid SCHEMBL31194866 0.72 CA12 (0.77) ALDH1A1CA2CA12CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2222669-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 US disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 US disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 US disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 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 (2 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-20100174065-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 HTR2A 858/4885HTR2C 449/4885ALDH1A1 427/4885
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 HTR2A 1702/4885HTR2C 2092/4885ALDH1A1 1552/4885

“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.