SCHEMBL6419443

SCHEMBL6419443

CN(Cc1ccccc1OCc1ccc(F)cc1)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 3/20 0.54
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
PPARD Q03181 1/20 0.45
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CARM1 Q86X55 4/20 0.43
PRMT1 Q99873 4/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
PPARA Q07869 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL6419446 1.00 SLC1A5 (0.54) SLC1A5KMT2AMEN1ALDH1A1PKM
SCHEMBL6412494 0.83 TDP1 (0.43) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6412488 0.83 TDP1 (0.43) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6415755 0.82 KMT2A (0.53) KMT2AL3MBTL1PPARATDP1
SCHEMBL6415754 0.82 KMT2A (0.53) KMT2AL3MBTL1PPARATDP1
SCHEMBL6414638 0.80 KMT2A (0.62) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL6414642 0.80 KMT2A (0.62) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL6419288 0.80 TDP1 (0.51) KMT2AALDH1A1LMNAMAPTTDP1
SCHEMBL6419290 0.80 TDP1 (0.51) KMT2AALDH1A1LMNAMAPTTDP1
SCHEMBL6419456 0.78 SLC1A5 (0.46) SLC1A5KMT2AMEN1ALDH1A1PKM

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 SLC1A5 1442/4885KMT2A 1208/4885MEN1 4741/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC1A5 2146/4885KMT2A 1330/4885MEN1 4837/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC1A5 2146/4885KMT2A 1330/4885MEN1 4837/4885

“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.