SCHEMBL5777726

SCHEMBL5777726

Cn1ccc2ccc(C(=O)NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CCR2 P41597 1/20 0.44
P2RX1 P51575 4/20 0.44
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CHRNA7 P36544 1/20 0.43
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
MAOB P27338 1/20 0.41
IKBKB O14920 2/20 0.40
IKBKE Q14164 1/20 0.40
TRPA1 O75762 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL5780884 0.91 MAOB (0.51) MAPTCCR2P2RX1CHRNA7BRAF
SCHEMBL5780051 0.83 CCR2 (0.53) MAPTCCR2MAPK11MAPK14CHRNA7
SCHEMBL5780807 0.78 MAOB (0.67) MAPTCCR2MAPK11MAPK14CHRNA7
SCHEMBL5781894 0.77 MAPK11 (0.46) MAPTCCR2MAPK11MAPK14CHRNA7
SCHEMBL28516693 0.77 MAPT (0.58) MAPTCHRNA7MAOBCA12CA1
SCHEMBL30504234 0.77 MAPT (0.58) MAPTCHRNA7MAOBCA12CA1
SCHEMBL22803507 0.76 EPHX2 (0.58) MAPTCA12CA1CA2CA9
SCHEMBL5779412 0.75 ALDH1A1 (0.48) MAPTMAPK11MAPK14
SCHEMBL30317473 0.74 MAPK11 (0.53) MAPK11MAPK14CHRNA7MAOBHDAC3
SCHEMBL5778627 0.74 CCR2 (0.53) MAPTCCR2CHRNA7BRAFKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP claimed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP claimed
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US claimed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 WO claimed
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP disclosed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US disclosed
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-07-01 US disclosed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US disclosed
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US disclosed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 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 (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-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 MAPT 2071/4885CCR2 3/4885P2RX1 3475/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAPT 1806/4885CCR2 1/4885P2RX1 3150/4885

“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.