SCHEMBL5488754

SCHEMBL5488754

CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3nccnc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.62
RAB9A P51151 8/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
MAPT P10636 4/20 0.53
TP53 P04637 2/20 0.53
PLAU P00749 3/20 0.52
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
PLAT P00750 1/20 0.52
KLKB1 P03952 1/20 0.52
PRSS1 P07477 1/20 0.52
ATM Q13315 1/20 0.52
GAA P10253 2/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 4/20 0.50
ALOX12 P18054 2/20 0.50
LMNA P02545 1/20 0.50
CA2 P00918 1/20 0.47

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
SCHEMBL5487894 0.85 MAPT (0.50) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL27509164 0.85 THRB (0.54) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL28741342 0.84 MEN1 (0.65) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5489236 0.84 ATM (0.51) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5499030 0.81 MAPT (0.49) CCR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5487573 0.80 KMT2A (0.72) CCR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5496806 0.80 HPSE (0.54) RAB9ANPC1SMN1; SMN2ATMMEN1
SCHEMBL5497152 0.80 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5496716 0.79 MAPT (0.47) CCR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5491211 0.79 HPSE (0.53) RAB9ANPC1SMN1; SMN2ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885RAB9A 3267/4885NPC1 877/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885RAB9A 3249/4885NPC1 686/4885

“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.