SCHEMBL5778449

SCHEMBL5778449

O=CN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
PDK1 Q15118 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 2/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 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
SCHEMBL5493794 0.94 KDR (0.48) KDRPDK1SMN1; SMN2NPSR1MEN1
SCHEMBL5782111 0.89 UBE2M (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5781087 0.88 NPC1 (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5782804 0.87 NPC1 (0.58) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5782454 0.87 NPC1 (0.45) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5783688 0.84 NPC1 (0.57) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5778203 0.84 AR (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5495228 0.84 TRPV1 (0.44) SMN1; SMN2NPSR1MEN1KMT2ANPC1
SCHEMBL5778367 0.84 EPHX2 (0.46) KDRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5780262 0.83 CCR2 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP claimed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US claimed
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-07-01 US 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-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 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-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 KDR 1400/4885PDK1 1980/4885SMN1; SMN2 2756/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KDR 1213/4885PDK1 2567/4885SMN1; SMN2 3130/4885

“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.