SCHEMBL5488721

SCHEMBL5488721

O=C(NC(=O)c1ccc2nccnc2c1)Nc1cc(C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
ORAI1 Q96D31 1/20 0.45
MAPK1 P28482 2/20 0.43
CCR2 P41597 1/20 0.43
PIK3CA P42336 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
P2RX1 P51575 2/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 5/20 0.43
RAB9A P51151 5/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL5496866 0.99 BRAF (0.48) BRAFMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5491281 0.92 SMN1; SMN2 (0.52) BRAFMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5496861 0.89 BRAF (0.48) BRAFMEN1KMT2ASMN1; SMN2HTT
SCHEMBL27509542 0.85 SMN1; SMN2 (0.58) BRAFMEN1KMT2ASMN1; SMN2HTT
SCHEMBL27533283 0.84 BRAF (0.61) BRAFMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5495384 0.82 RAB9A (0.56) MEN1KMT2ASMN1; SMN2HTTMAPK1
SCHEMBL5493301 0.81 RAB9A (0.55) MEN1KMT2ASMN1; SMN2HTTMAPK1
SCHEMBL5496806 0.80 HPSE (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6181468 0.80 SMN1; SMN2 (0.50) BRAFMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5491211 0.79 HPSE (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed
CN-1259315-C Antagonists of MCP-1 function and methods of use thereof TELIK INC (US) 2006-06-14 CN 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
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN 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

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 BRAF 1333/4885MEN1 2382/4885KMT2A 4655/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 BRAF 1597/4885MEN1 2483/4885KMT2A 4673/4885

“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.