SCHEMBL2811247

SCHEMBL2811247

COC(=O)C1CCCc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
HTR1D P28221 1/20 0.43
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
NQO2 P16083 1/20 0.40
KDM4C Q9H3R0 6/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HTR6 P50406 1/20 0.37
CXCR2 P25025 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
SCHEMBL2810662 0.93 DRD2 (0.47) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL4522568 0.88 DRD2 (0.42) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL4522562 0.88 DRD2 (0.42) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL14711226 0.83 TAS1R3 (0.51) MTNR1AMTNR1BNQO2KDM4CTAS1R3
SCHEMBL30940169 0.83 TAS1R3 (0.51) MTNR1AMTNR1BNQO2KDM4CTAS1R3
SCHEMBL25214790 0.80 DRD2 (0.46) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL3533743 0.80 DRD2 (0.43) DRD2DRD3HTR1DKDM4CDRD1
SCHEMBL3533741 0.80 DRD2 (0.43) DRD2DRD3HTR1DKDM4CDRD1
SCHEMBL2629485 0.77 DRD2 (0.43) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL3539919 0.77 DRD2 (0.43) DRD2DRD3HTR1DDRD1DRD4

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 DRD2 2643/4885DRD3 3112/4885HTR1D 1115/4885
US-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 DRD2 4361/4885DRD3 3672/4885HTR1D 2354/4885

“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.