SCHEMBL6078174

SCHEMBL6078174

CON(Cc1ccc(F)c(C#N)c1)C(=O)/C=C1/OC(C)(C)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNJ1 P48048 1/20 0.32
AR P10275 1/20 0.31
PLA2G7 Q13093 3/20 0.31
FSCN1 Q16658 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
CNR2 P34972 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
SCHEMBL6078183 1.00 PGR (0.33) PGRDPP4DPP8ALDH1A1HSD17B10
SCHEMBL6077017 0.88 RIPK1 (0.36) ALDH1A1HSD17B10
SCHEMBL6870225 0.88 RIPK1 (0.36) ALDH1A1HSD17B10
SCHEMBL6447970 0.86 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL6078326 0.86 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL6077279 0.85 RPA1 (0.33) ALDH1A1HSD17B10NR1H4
SCHEMBL6076895 0.85 RPA1 (0.33) ALDH1A1HSD17B10NR1H4
SCHEMBL6077936 0.85 CYP1A2 (0.36) ALDH1A1HSD17B10
SCHEMBL6077756 0.85 CYP1A2 (0.36) ALDH1A1HSD17B10
SCHEMBL6076755 0.84 ALDH1A1 (0.32) 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 8 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
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

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 PGR 1010/4885DPP4 2147/4885DPP8 2004/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 PGR 2922/4885DPP4 2608/4885DPP8 2232/4885

“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.