SCHEMBL15971121

SCHEMBL15971121

Cc1cc2cccc(Cl)c2n1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.42
CCR2 P41597 2/20 0.42
CCR9 P51686 1/20 0.38
MCL1 Q07820 1/20 0.37
RIPK1 Q13546 1/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
AKR1B1 P15121 1/20 0.34
MYC P01106 2/20 0.34
NR4A1 P22736 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL15970799 0.83 NPC1 (0.38) NOTUMCCR2KDM4EALDH1A1HSD17B10
SCHEMBL15971081 0.78 KDM4E (0.44) CCR2MCL1KMT2ATSHRKDM4E
SCHEMBL20048466 0.76 CCR2 (0.51) NOTUMCCR2CCR9KMT2AKDM4E
SCHEMBL15971031 0.76 NOTUM (0.44) NOTUMTSHRKDM4ERXFP1
SCHEMBL5673448 0.74 CMA1 (0.51) CCR2CCR9KMT2AKDM4EMEN1
SCHEMBL18000099 0.73 PRMT5 (0.44) NOTUMCCR2KMT2AALDH1A1HTR2A
SCHEMBL5967722 0.72 MCL1 (0.49) MCL1KMT2ATSHRKDM4EMEN1
SCHEMBL30343692 0.72 MCL1 (0.49) MCL1KMT2ATSHRKDM4EMEN1
SCHEMBL5600801 0.70 MCL1 (0.56) CCR2CCR9MCL1KDM4EALDH1A1
SCHEMBL20037332 0.69 TSHR (0.56) KMT2ATSHRKDM4EMEN1ALDH1A1

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
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

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 NOTUM 297/4885CCR2 239/4885CCR9 237/4885

“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.