SCHEMBL6077017

SCHEMBL6077017

CON(Cc1ccc(F)c(F)c1)C(=O)C=C1OC(C)(C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 1/20 0.33
BMP1 P13497 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
HCRTR2 O43614 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6870225 1.00 RIPK1 (0.36) RIPK1HIF1AALDH1A1HTTHSD17B10
SCHEMBL6078326 0.92 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL6447970 0.92 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL6449342 0.92 ALDH1A1 (0.32) ALDH1A1HTTHSD17B10KDM4EMITF
SCHEMBL6076755 0.92 ALDH1A1 (0.32) ALDH1A1HTTHSD17B10KDM4EMITF
SCHEMBL6077936 0.91 CYP1A2 (0.36) ALDH1A1HSD17B10MAOAMAOBKDM4E
SCHEMBL6076895 0.91 RPA1 (0.33) ALDH1A1HSD17B10
SCHEMBL6077279 0.91 RPA1 (0.33) ALDH1A1HSD17B10
SCHEMBL6077756 0.91 CYP1A2 (0.36) ALDH1A1HSD17B10MAOAMAOBKDM4E
SCHEMBL6078174 0.88 PGR (0.33) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP claimed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US claimed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US claimed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO claimed
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 RIPK1 2770/4885HIF1A 1933/4885ALDH1A1 563/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 RIPK1 1438/4885HIF1A 3113/4885ALDH1A1 976/4885

“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.