SCHEMBL2230985

SCHEMBL2230985

OB(O)c1cccc(CF)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.67
LPL P06858 2/20 0.55
LIPG Q9Y5X9 2/20 0.55
MGLL Q99685 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
EPHX1 P07099 1/20 0.39
F11 P03951 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL5872608 0.82 ENPP2 (0.72) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL8832 0.80 ENPP2 (1.00) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL2503293 0.78 ENPP2 (0.67) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL723106 0.78 ENPP2 (0.67) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL257748 0.78 ENPP2 (0.67) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL692342 0.78 ENPP2 (0.67) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL14518706 0.78 ENPP2 (0.67) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL19952 0.78 ENPP2 (0.67) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL14120836 0.78 ENPP2 (0.67) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL3952244 0.78 ENPP2 (0.60) ENPP2LPLLIPGMGLLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
EP-2344636-B1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HUGHES HOWARD MED INST (US) 2017-12-06 EP disclosed
WO-2017066014-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNNYLIFE PHARMA INC. (US) 2017-04-20 WO disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-8435762-B2 Chimeric ligand-gated ion channels and methods of use thereof HOWARD HUGHES MEDICAL INSTITUTE (US) 2013-05-07 US disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 US disclosed
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2011-12-22 US disclosed
EP-2344636-A2 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF Howard Hughes Medical Institute (US) 2011-07-20 EP disclosed
EP-2298767-A1 NITROGENATED BICYCLIC HETEROCYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-03-23 EP disclosed
US-20100130420-A1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HOWARD HUGHES MEDICAL INSTITUTE (US) 2010-05-27 US disclosed
WO-2010042799-A2 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HOWARD HUGHES MEDICAL INSTITUTE (US) 2010-04-15 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 (3 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-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR ENPP2 168/4885LPL 517/4885LIPG 363/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ENPP2 147/4885LPL 2017/4885LIPG 1774/4885
US-20100130420-A1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA4 ENPP2 643/4885LPL 3659/4885LIPG 3446/4885

“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.