SCHEMBL536636

SCHEMBL536636

Cc1cc(CO)ccc1C(=N)NO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR4 O95977 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
RECQL P46063 2/20 0.32
PTGER4 P35408 2/20 0.32
SHBG P04278 1/20 0.31
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
KLKB1 P03952 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL1739369 0.81 XDH (0.43) CYP1A2
SCHEMBL15633481 0.80 PRSS1 (0.34) PRSS1PRSS2PRSS3RECQLPLAU
SCHEMBL15633642 0.79 KIF11 (0.37) PRSS1PRSS2PRSS3NR1H4RECQL
SCHEMBL4884083 0.77 TP53 (0.41) F2PLGPLAUPLATNPC1
SCHEMBL27842784 0.77 HDAC1 (0.39) PRSS1PRSS2PRSS3ESR1ESR2
SCHEMBL2473977 0.76 FLT1 (0.41) F2NPC1RAB9A
SCHEMBL4586875 0.74 FLT1 (0.44) NPC1RAB9AHDAC1HDAC6HDAC8
SCHEMBL15971087 0.74 CYP4F2 (0.51)
SCHEMBL320863 0.72 PRSS1 (0.56) PRSS1PRSS2PRSS3F2PLG
SCHEMBL1627397 0.72 NR1H4 (0.51) NR1H4PTGER4KLKB1NPC1RAB9A

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
CN-103619838-B Piperidinyl monocarboxylic acids as S1P1 receptor agonists 生物计划公司 2016-08-24 CN claimed
CN-103619838-A Novel piperidinyl monocarboxylic acids as s1p1 receptor agonists BIOPROJET SOC CIV 2014-03-05 CN claimed
EP-2958913-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEMICAL LTD (KR) 2018-10-03 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
CN-103619838-B Piperidinyl monocarboxylic acids as S1P1 receptor agonists 生物计划公司 2016-08-24 CN disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 WO disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
CN-103619838-A Novel piperidinyl monocarboxylic acids as s1p1 receptor agonists BIOPROJET SOC CIV 2014-03-05 CN disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 PRSS1 1395/4885PRSS2 2740/4885PRSS3 3262/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB PRSS1 4700/4885PRSS2 4780/4885PRSS3 4009/4885

“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.