SCHEMBL6077281

SCHEMBL6077281

CON(Cc1ccccc1F)C(=O)C=C1OC(C)(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RIPK1 Q13546 1/20 0.35
TP53 P04637 2/20 0.34
LIPE Q05469 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC1A2 P43004 1/20 0.32
POLB P06746 1/20 0.32
TSPO P30536 1/20 0.32
LMNA P02545 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL6077300 1.00 KMT2A (0.37) KMT2AMEN1ATMMAPTALDH1A1
SCHEMBL6078045 0.88 RIPK1 (0.37) KMT2AMEN1ALDH1A1KDM4ERIPK1
SCHEMBL6077676 0.88 RIPK1 (0.37) KMT2AMEN1ALDH1A1KDM4ERIPK1
SCHEMBL6077318 0.87 SLC1A5 (0.32) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6077321 0.87 SLC1A5 (0.32) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6077728 0.84 CYP1A2 (0.38) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL6077726 0.84 CYP1A2 (0.38) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL6879189 0.83 NPSR1 (0.36) MAPTALDH1A1
SCHEMBL6077514 0.83 ALDH1A1 (0.38) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6077512 0.83 ALDH1A1 (0.38) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF KMT2A 736/4885MEN1 4784/4885ATM 1262/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 KMT2A 646/4885MEN1 4365/4885ATM 733/4885

“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.