SCHEMBL6415754

SCHEMBL6415754

CN(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
NR4A2 P43354 1/20 0.52
PPARA Q07869 1/20 0.52
MAOB P27338 3/20 0.51
GSK3B P49841 1/20 0.49
BACE1 P56817 1/20 0.49
PARP10 Q53GL7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
FFAR1 O14842 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL6415755 1.00 KMT2A (0.53) KMT2ANR4A2PPARAMAOBGSK3B
SCHEMBL6414654 0.90 L3MBTL1 (0.59) KMT2AMAOBL3MBTL1FFAR1ALOX5
SCHEMBL6414656 0.90 L3MBTL1 (0.59) KMT2AMAOBL3MBTL1FFAR1ALOX5
SCHEMBL6411941 0.90 KMT2A (0.50) KMT2ANR4A2PPARAMAOBGSK3B
SCHEMBL6411939 0.90 KMT2A (0.50) KMT2ANR4A2PPARAMAOBGSK3B
SCHEMBL6419290 0.88 TDP1 (0.51) KMT2ATDP1
SCHEMBL6419288 0.88 TDP1 (0.51) KMT2ATDP1
SCHEMBL6414642 0.88 KMT2A (0.62) KMT2ANR4A2PPARAMAOBL3MBTL1
SCHEMBL6414638 0.88 KMT2A (0.62) KMT2ANR4A2PPARAMAOBL3MBTL1
SCHEMBL6419446 0.82 SLC1A5 (0.54) KMT2APPARAL3MBTL1TDP1

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 7 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
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (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 KMT2A 1208/4885NR4A2 969/4885PPARA 2477/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 KMT2A 1330/4885NR4A2 679/4885PPARA 3094/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 KMT2A 1330/4885NR4A2 679/4885PPARA 3094/4885

“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.