SCHEMBL4720380

SCHEMBL4720380

O=C(O)Cc1cc(C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.65
▸ RXRB P28702 2/20 0.65
▸ RXRG P48443 2/20 0.65
▸ MRGPRX4 Q96LA9 2/20 0.53
▸ PTPN1 P18031 3/20 0.52
▸ PTPN6 P29350 3/20 0.52
▸ PTPN2 P17706 2/20 0.52
▸ LRRK2 Q5S007 3/20 0.52
▸ HTR2C P28335 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ PTGDR2 Q9Y5Y4 4/20 0.51
▸ PTGER1 P34995 2/20 0.50
▸ SLC26A3 P40879 1/20 0.50
▸ PTGER4 P35408 1/20 0.50
▸ PTGER3 P43115 1/20 0.50
▸ PTGER2 P43116 1/20 0.50
▸ PPARD Q03181 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ CYP3A4 P08684 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
SCHEMBL4723962 0.91 RXRA (0.57) RXRARXRBRXRGMRGPRX4PTPN1
SCHEMBL17141488 0.86 RXRA (0.53) RXRARXRBRXRGMRGPRX4LRRK2
SCHEMBL14098669 0.85 RXRA (0.52) RXRARXRBRXRGMRGPRX4LRRK2
SCHEMBL6211474 0.85 RXRA (0.55) RXRARXRBRXRGMRGPRX4PTPN1
SCHEMBL17141539 0.85 HTR2C (0.54) RXRARXRBRXRGMRGPRX4PTPN1
SCHEMBL4720660 0.84 RXRA (0.50) RXRARXRBRXRGMRGPRX4PTPN1
SCHEMBL7341566 0.83 PTGDR2 (0.48) RXRARXRBRXRGPTGDR2PPARD
SCHEMBL17141510 0.82 RXRA (0.53) RXRARXRBRXRGMRGPRX4PTPN1
SCHEMBL6216861 0.82 HTR2C (0.54) RXRARXRBRXRGMRGPRX4PTPN1
SCHEMBL561476 0.82 HTR2C (0.54) RXRARXRBRXRGMRGPRX4PTPN1

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-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-05-18 — — US disclosed
EP-3126360-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS Lupin Limited (IN) 2017-02-08 — — EP disclosed
WO-2015151001-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2015-10-08 — — WO disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 — — US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 — — US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 — — US disclosed
EP-1874776-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-01-09 — — EP disclosed
WO-2006114274-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2006-11-02 — — 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-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders PTGER1, PTGER2, PTGER4 RXRA 65/4885RXRB 51/4885RXRG 131/4885
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A RXRA 3944/4885RXRB 4067/4885RXRG 3924/4885

“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.

Send feedback