SCHEMBL5495442

SCHEMBL5495442

CN1CCOc2cc(N(C=O)C(=O)Nc3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
DCUN1D1 Q96GG9 10/20 0.44
UBE2M P61081 9/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR142 Q7Z601 1/20 0.41

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
SCHEMBL5489677 0.87 TP53 (0.51) TP53POLBRAB9ADCUN1D1UBE2M
SCHEMBL5495090 0.85 MAPT (0.52) TP53POLBRAB9ADCUN1D1UBE2M
SCHEMBL5778417 0.81 CCR2 (0.57) TP53POLBRAB9ADCUN1D1UBE2M
SCHEMBL5489343 0.79 DCUN1D1 (0.48) TP53POLBRAB9ADCUN1D1UBE2M
SCHEMBL5492399 0.78 DCUN1D1 (0.46) TP53POLBRAB9ADCUN1D1UBE2M
SCHEMBL5495586 0.77 TRPV1 (0.53) RAB9ALMNAKMT2A
SCHEMBL6512204 0.76 AR (0.40) TP53POLBGAATDP1LMNA
SCHEMBL7090723 0.76 KIF11 (0.49) TP53POLBGAATDP1GPR142
SCHEMBL5487282 0.75 TRPV1 (0.46) TP53POLBRAB9ADCUN1D1UBE2M
SCHEMBL5781511 0.74 TP53 (0.50) TP53POLBRAB9ADCUN1D1UBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 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
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
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP disclosed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TP53 3234/4885POLB 3025/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TP53 3229/4885POLB 3224/4885RAB9A 3249/4885

“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.