SCHEMBL3453883

SCHEMBL3453883

NCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 12/20 0.54
MRGPRX4 Q96LA9 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 1/20 0.53
CSNK2A1 P68400 1/20 0.50
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
RAB9A P51151 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
Hydrochloric Acid SCHEMBL21595895 0.98 S1PR4 (0.53) S1PR4MRGPRX4TDP1MAPTCSNK2A1
SCHEMBL7536535 0.90 MAPT (0.55) S1PR4MRGPRX4TDP1MAPTHPGD
SCHEMBL11413525 0.87 S1PR4 (0.66) S1PR4TDP1MAPT
SCHEMBL8918360 0.87 MAPT (0.53) S1PR4MRGPRX4TDP1MAPTHPGD
SCHEMBL11249902 0.84 ALDH1A1 (0.54) MRGPRX4MAPTHPGDALDH1A1CYP1A2
SCHEMBL8959091 0.83 LTA4H (0.46) S1PR4MRGPRX4MAPTCSNK2A1HPGD
SCHEMBL5736337 0.83 LMNA (0.54) S1PR4MRGPRX4MAPTHPGDNPC1
SCHEMBL21601495 0.82 S1PR4 (0.49) S1PR4MRGPRX4
SCHEMBL7237501 0.82 MAPT (0.58) S1PR4TDP1MAPTHPGDNPC1
SCHEMBL5825119 0.82 S1PR4 (0.56) S1PR4TDP1MAPTHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
EP-1745027-A4 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-06-03 EP disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
EP-1745027-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005113519-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-01 WO disclosed
EP-1539687-A1 SUBSTITUTED GLYCINE DERIVATIVES FOR USE AS MEDICAMENTS Pfizer Limited (GB) 2005-06-15 EP disclosed
US-20040092498-A1 Substituted glycine derivatives for use as medicaments BLAKEMORE DAVID (GB) 2004-05-13 US disclosed
WO-2004016583-A1 SUBSTITUTED GLYCINE DERIVATIVES FOR USE AS MEDICAMENTS PFIZER LIMITED (GB) 2004-02-26 WO disclosed
WO-2004016583-A1 SUBSTITUTED GLYCINE DERIVATIVES FOR USE AS MEDICAMENTS PFIZER LIMITED (GB) 2004-02-26 WO disclosed
EP-0183147-A2 Beta-substituted aminophenethylazol derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-06-04 EP 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-20040092498-A1 Substituted glycine derivatives for use as medicaments GLRA1, GRM1, GPR6 S1PR4 1191/4885MRGPRX4 301/4885TDP1 915/4885
US-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD S1PR4 1546/4885MRGPRX4 2514/4885TDP1 3465/4885

“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.