SCHEMBL6550208

SCHEMBL6550208

CC(Oc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.59
PPARA Q07869 1/20 0.59
NPSR1 Q6W5P4 3/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PDK2 Q15119 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
SLC6A9 P48067 1/20 0.46

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
SCHEMBL10976323 0.92 PPARG (0.52) PPARGPPARANPSR1PTGDR2KDM4E
SCHEMBL11411964 0.89 SRD5A2 (0.57) PPARGPPARANPSR1PTGDR2GAA
SCHEMBL4780627 0.86 EPHX1 (0.51) PPARGPPARANPSR1KDM4EGAA
SCHEMBL6549025 0.86 PPARG (0.53) PPARGPPARANPSR1KDM4EGAA
SCHEMBL232456 0.85 CYP1A2 (0.51) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL10931369 0.85 TDP1 (0.50) PPARGPPARAPTGDR2GAACYP1A2
SCHEMBL11223862 0.84 NPSR1 (0.52) PPARGPPARANPSR1KDM4EGAA
SCHEMBL5539199 0.82 PPARG (0.61) PPARGPPARANPSR1KDM4EGAA
SCHEMBL5207539 0.82 PPARG (0.51) PPARGPPARANPSR1KDM4EGAA
SCHEMBL25212758 0.81 CYP1A2 (0.59) PPARGPPARANPSR1PTGDR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 US disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 US disclosed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 WO disclosed
EP-1180515-B9 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-12-01 EP disclosed
EP-1180515-B1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-04-14 EP disclosed
US-6706664-B1 Benzoxazole compounds, process for the preparation thereof and herbicides UBE INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1180515-A1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES Ube Industries, Ltd. (JP) 2002-02-20 EP disclosed
US-4304907-A Bicyclo lactone intermediates for prostaglandin analogs THE UPJOHN COMPANY (US) 1981-12-08 US disclosed
US-4303796-A 16-Phenoxy prostaglandin F2α analogs THE UPJOHN COMPANY (US) 1981-12-01 US disclosed
US-4154950-A PROSTAGLANDIN, WOUND HEALING AGENTS, OXYTOCICS, ANTIULCER AGENTS, ANTICOAGULANT, DECONGESTANT THE UPJOHN COMPANY (US) 1979-05-15 US disclosed
US-4116989-A 16-Phenoxy prostaglandin F1α analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4087616-A 16-Phenoxy prostaglandin A2 analogs THE UPJOHN COMPANY (US) 1978-05-02 US 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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D PPARG 3460/4885PPARA 3235/4885NPSR1 361/4885

“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.