SCHEMBL6412486

SCHEMBL6412486

Cc1ccc(CN(C)C(=O)/C=C(\O)C(=O)O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
ITK Q08881 2/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 2/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HPGD P15428 1/20 0.34
AOC3 Q16853 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6412491 1.00 EGFR (0.37) EGFRITKKMT2ALMNAMEN1
SCHEMBL6413065 0.87 MMP13 (0.38) EGFRITKKMT2AMEN1AOC3
SCHEMBL6413062 0.87 MMP13 (0.38) EGFRITKKMT2AMEN1AOC3
SCHEMBL6419509 0.85 TAS2R14 (0.45) KMT2AMEN1HPGDL3MBTL1
SCHEMBL6419506 0.85 TAS2R14 (0.45) KMT2AMEN1HPGDL3MBTL1
SCHEMBL6412652 0.83 HSP90AA1 (0.43) KMT2ALMNANPC1RAB9ACA12
SCHEMBL6412658 0.83 HSP90AA1 (0.43) KMT2ALMNANPC1RAB9ACA12
SCHEMBL6417152 0.81 RIPK1 (0.44) KMT2AMEN1RAB9AAOC3
SCHEMBL6417149 0.81 RIPK1 (0.44) KMT2AMEN1RAB9AAOC3
SCHEMBL6417278 0.80 PDPK1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 EGFR 782/4885ITK 3886/4885KMT2A 1208/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 EGFR 1414/4885ITK 3778/4885KMT2A 1330/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 EGFR 1414/4885ITK 3778/4885KMT2A 1330/4885

“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.