SCHEMBL6077150

SCHEMBL6077150

CC(C)CON=Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
PLA2G7 Q13093 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.40
MIF P14174 1/20 0.40
ALOX5 P09917 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37

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
SCHEMBL6077147 1.00 PPARG (0.45) PPARGPPARASMN1; SMN2LMNARECQL
SCHEMBL28043070 0.81 PPARG (0.53) PPARGPPARASMN1; SMN2LMNAPLA2G7
SCHEMBL6077681 0.79 CYP1A2 (0.49) SMN1; SMN2LMNARECQLPLA2G7HTT
SCHEMBL6077675 0.79 CYP1A2 (0.49) SMN1; SMN2LMNARECQLPLA2G7HTT
SCHEMBL6568482 0.79 PPARG (0.42) PPARGPPARASMN1; SMN2MIFNPC1
SCHEMBL19303336 0.76 SMN1; SMN2 (0.51) SMN1; SMN2LMNARECQLPLA2G7HTT
SCHEMBL19296378 0.76 SMN1; SMN2 (0.51) SMN1; SMN2LMNARECQLPLA2G7HTT
SCHEMBL12898846 0.75 SMN1; SMN2 (0.45) SMN1; SMN2LMNARECQLPLA2G7HTT
SCHEMBL14262727 0.73 PLA2G7 (0.45) SMN1; SMN2LMNARECQLPLA2G7HTT
SCHEMBL6877540 0.73 PLA2G7 (0.41) SMN1; SMN2LMNARECQLPLA2G7HTT

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
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
CN-1617849-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-05-18 CN 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
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO 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 PPARG 4413/4885PPARA 4594/4885SMN1; SMN2 4612/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 PPARG 4737/4885PPARA 4637/4885SMN1; SMN2 3234/4885

“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.