SCHEMBL7920910

SCHEMBL7920910

COC(=O)c1cc(Cl)c2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.46
ACHE P22303 1/20 0.41
HTR4 Q13639 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CHEK1 O14757 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PTPN11 Q06124 2/20 0.40
RHEB Q15382 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 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
SCHEMBL143239 0.83 CDK8 (0.44) CDK8ALDH1A1KDM4ECA12CA1
SCHEMBL18031228 0.83 CYP3A4 (0.50) CDK8ALDH1A1KDM4ECA12CA1
SCHEMBL18031517 0.83 KDM4E (0.53) CDK8ALDH1A1KDM4ECA12CA1
SCHEMBL255939 0.81 NOTUM (0.44) CDK8CHEK1ALDH1A1KDM4ECA12
SCHEMBL7926728 0.81 CYP2D6 (0.49) CDK8ALDH1A1KDM4ECA12CA1
SCHEMBL30781376 0.81 NOTUM (0.44) CDK8CHEK1ALDH1A1KDM4ECA12
SCHEMBL28362761 0.81 KDM4E (0.49) CDK8ALDH1A1KDM4ECA12CA1
SCHEMBL15971144 0.80 KDM4E (0.47) ACHEHTR4SIGMAR1ALDH1A1KDM4E
SCHEMBL15971072 0.78 POLB (0.41) CDK8ALDH1A1KDM4ECA12CA1
SCHEMBL28358895 0.77 VCAM1 (0.49) ALDH1A1KDM4ELMNAPOLBXDH

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 8 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
CN-105051037-A Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent LG LIFE SCIENCES LTD 2015-11-11 CN 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-6228868-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-08 US disclosed
WO-2000006556-A1 SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS ABBOTT LABORATORIES (US) 2000-02-10 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 CDK8 3959/4885ACHE 2404/4885HTR4 2336/4885

“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.