SCHEMBL1313330

SCHEMBL1313330

CCCCCCCCc1cc2cc(CN)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.46
GHSR Q92847 3/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
HTR2A P28223 1/20 0.44
GPR84 Q9NQS5 9/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
PLA2G4A P47712 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
SCHEMBL1461108 0.88 GHSR (0.47) GHSRCTSVCTSLHTR2AGPR84
SCHEMBL865468 0.81 HTR1A (0.43) LOXL2GHSRCTSVCTSLHTR2A
SCHEMBL3698687 0.79 LOXL2 (0.57) LOXL2GHSRCTSVCTSLGPR84
SCHEMBL28285787 0.79 GHSR (0.48) GHSRCTSVCTSLGPR84
SCHEMBL3701458 0.79 LOXL2 (0.57) LOXL2GHSRCTSVCTSLGPR84
SCHEMBL1459106 0.77 GHSR (0.46) LOXL2GHSRCTSVCTSLGPR84
SCHEMBL9278047 0.77 GPR84 (0.50) GHSRCTSVCTSLGPR84
SCHEMBL864947 0.76 KDM4E (0.43) LOXL2GPR84HTR1AHTR1DHTR1B
SCHEMBL3702698 0.76 CTSV (0.63) LOXL2GHSRCTSVCTSLGPR84
SCHEMBL11415263 0.76 CTSV (0.63) LOXL2GHSRCTSVCTSLGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 LOXL2 1440/4885GHSR 2006/4885CTSV 3113/4885

“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.