SCHEMBL15970969

SCHEMBL15970969

Cc1cc(C2OCCO2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.46
CYP11B1 P15538 4/20 0.46
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.38
USP30 Q70CQ3 1/20 0.36
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
FASN P49327 1/20 0.33
AR P10275 1/20 0.33
NR3C2 P08235 1/20 0.33
S1PR1 P21453 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20093956 0.95 CYP11B2 (0.47) CYP11B2CYP11B1TSHRRAB9AUSP30
SCHEMBL28647655 0.81 TRPV4 (0.46) CYP11B2CYP11B1AR
SCHEMBL17320658 0.81 CYP11B1 (0.39) CYP11B2CYP11B1TSHR
SCHEMBL28643620 0.81 CYP11B1 (0.62) CYP11B2CYP11B1FASNMEN1KMT2A
SCHEMBL10018131 0.79 RAB9A (0.43) RAB9AMEN1KMT2A
SCHEMBL20588825 0.79 CYP11B1 (0.43) CYP11B2CYP11B1RAB9AMEN1KMT2A
SCHEMBL3712044 0.77 CYP11B1 (0.51) CYP11B2CYP11B1RAB9AARMEN1
SCHEMBL21237810 0.76 CYP11B1 (0.63) CYP11B2CYP11B1AR
SCHEMBL15112858 0.76 USP30 (0.47) CYP11B2CYP11B1TSHRUSP30MAOA
SCHEMBL20090804 0.75 CYP11B1 (0.39) CYP11B2CYP11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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-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 CYP11B2 2338/4885CYP11B1 1666/4885TSHR 533/4885

“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.