SCHEMBL3714048

SCHEMBL3714048

COCCOc1cc(C(=O)O)cc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
PLAU P00749 1/20 0.39
HCAR3 P49019 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TPMT P51580 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PLA2G2A P14555 1/20 0.36
S1PR2 O95136 2/20 0.35
HCAR1 Q9BXC0 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34

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
SCHEMBL3216400 0.93 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2PLAUHCAR3
SCHEMBL15662782 0.86 KMT2A (0.45) PLAUALDH1A1KDM4CPLA2G2A
SCHEMBL10287469 0.85 PLA2G2A (0.49) PLA2G2A
SCHEMBL20606774 0.83 PLAU (0.43) TAS1R3TAS1R1TAS1R2PLAUTPMT
SCHEMBL15295880 0.83 GPR119 (0.45) KDM4EALDH1A1
SCHEMBL899603 0.83 MAPT (0.50) PLAUTPMTPLA2G2A
SCHEMBL3713481 0.82 MAPK1 (0.50) PLAUKDM4E
SCHEMBL837798 0.80 ALDH1A1 (0.56) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL30016380 0.79 FFAR4 (0.37) HCAR3KDM4EALDH1A1FFAR4PLA2G2A
SCHEMBL28634663 0.79 FFAR4 (0.37) HCAR3KDM4EALDH1A1FFAR4PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663511-B2 Sphingosine 1-phosphate receptor antagonists Arroyo BioSciences, LLC (US) 2017-05-30 US disclosed
US-9663511-B2 Sphingosine 1-phosphate receptor antagonists Arroyo BioSciences, LLC (US) 2017-05-30 US disclosed
EP-2831072-B1 NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS ARROYO BIOSCIENCES L L C (US) 2017-04-19 EP disclosed
US-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists ARROYO BIOSCIENCES L.L.C. 2015-02-12 US disclosed
US-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists ARROYO BIOSCIENCES L.L.C. 2015-02-12 US disclosed
WO-2014158302-A1 NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS SWENSON ROLF ERIC (US) 2014-10-02 WO disclosed
WO-2013148460-A1 NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS SWENSON ROLF E (US) 2013-10-03 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 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 (1 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-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists S1PR2, S1PR1, S1PR5 TAS1R3 1890/4885TAS1R1 1121/4885TAS1R2 753/4885

“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.