SCHEMBL2787225

SCHEMBL2787225

Cc1ccc(CC(C)(O)CNC(=O)C(F)(F)F)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
PDK1 Q15118 3/20 0.35
PDK2 Q15119 3/20 0.35
PDK3 Q15120 3/20 0.35
PDK4 Q16654 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RIPK1 Q13546 1/20 0.34
MMP8 P22894 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL808969 0.83 MTNR1A (0.46) NR3C1NR3C2HPGDKDM4EMMP8
SCHEMBL809236 0.72 SSTR4 (0.47) HPGDMMP8MTNR1ACYP1A2
SCHEMBL15270016 0.70 HPGD (0.49) NR3C2HPGDKDM4EALDH1A1HTT
SCHEMBL808794 0.69 SSTR4 (0.45) HPGDRIPK1MMP8MTNR1ACYP1A2
SCHEMBL22445568 0.68 HDAC3 (0.44) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL19747523 0.68 HDAC3 (0.44) PDK1PDK2PDK3PDK4
SCHEMBL15269544 0.68 RIPK1 (0.49) HPGDKDM4EALDH1A1RIPK1HTT
SCHEMBL808673 0.68 SSTR4 (0.48) HPGDKDM4EMTNR1ACYP1A2LMNA
SCHEMBL4025556 0.67 CYP2C9 (0.47) ALDH1A1RIPK1MMP8CYP1A2LMNA
SCHEMBL27741466 0.66 TDP1 (0.56) KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 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-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE NR3C1 3258/4885PGR 3913/4885NR3C2 2857/4885

“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.