SCHEMBL1676119

SCHEMBL1676119

COC(=O)CN(C)C(=O)Nc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
PLAT P00750 2/20 0.38
S1PR5 Q9H228 1/20 0.35
ABCB1 P08183 2/20 0.34
KIF11 P52732 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIN2B Q13224 1/20 0.33
GCGR P47871 2/20 0.33
P2RX3 P56373 1/20 0.32
MCHR1 Q99705 1/20 0.32
CCR1 P32246 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL1676115 1.00 PLG (0.38) PLGPLAUPLATS1PR5ABCB1
SCHEMBL1675996 0.94 S1PR5 (0.38) PLGPLAUPLATS1PR5KIF11
SCHEMBL1675998 0.94 S1PR5 (0.38) PLGPLAUPLATS1PR5KIF11
SCHEMBL1676677 0.92 NPC1 (0.35) PLGPLAUPLATS1PR5GRIN2B
SCHEMBL1676680 0.92 NPC1 (0.35) PLGPLAUPLATS1PR5GRIN2B
SCHEMBL1676133 0.90 CNR1 (0.39) PLGPLAUPLATS1PR5ABCB1
SCHEMBL1676129 0.90 CNR1 (0.39) PLGPLAUPLATS1PR5ABCB1
SCHEMBL1676777 0.88 GCGR (0.38) PLGPLAUPLATS1PR5F2
SCHEMBL1676779 0.88 GCGR (0.38) PLGPLAUPLATS1PR5F2
SCHEMBL1481297 0.88 S1PR5 (0.38) PLGPLAUPLATS1PR5P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE PLG 2773/4885PLAU 3307/4885PLAT 2064/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PLG 2773/4885PLAU 3307/4885PLAT 2064/4885

“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.