SCHEMBL949872

SCHEMBL949872

CCCCCCCCOc1cc2c(cc1OC)C(=O)N(CCC(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
CNR2 P34972 2/20 0.43
GPR84 Q9NQS5 1/20 0.42
S1PR5 Q9H228 1/20 0.41
SMPD1 P17405 1/20 0.40

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
SCHEMBL2929677 0.71 LTB4R (0.47) S1PR5
SCHEMBL8077971 0.71 CNR2 (0.68) HTR2AHTR2CHTR2BHTR1AHTR7
SCHEMBL2928705 0.70 BRD4 (0.46) ALOX15TSHRS1PR5
SCHEMBL30965205 0.70 ALDH1A1 (0.45) KDM4EALDH1A1HPGDS1PR5
SCHEMBL20678415 0.68 PDE4B (0.43) PDE4BPDE4DHTR2AHTR2CHTR2B
SCHEMBL30967704 0.68 GPR84 (0.43) PDE4BALDH1A1HPGDHTR2AHTR2C
SCHEMBL7994834 0.67 SMPD1 (0.54) PDE4BHTR2ASMPD1
SCHEMBL30965269 0.67 HSD17B10 (0.52) KDM4EALOX15ALDH1A1HPGDS1PR5
SCHEMBL30965272 0.67 THRA (0.47) KDM4EALDH1A1HPGD
SCHEMBL30965204 0.67 HPGD (0.47) KDM4EALDH1A1HPGDS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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 (3 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 PDE4B 1727/4885KDM4E 2041/4885ALOX15 965/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 PDE4B 1433/4885KDM4E 1286/4885ALOX15 1462/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 PDE4B 1433/4885KDM4E 1286/4885ALOX15 1462/4885

“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.