SCHEMBL6793614

SCHEMBL6793614

Cc1cc2cc(OC(=O)C(F)(F)F)ccc2c2nn(CCCN)c(C(=O)O)c12

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MIF P14174 1/20 0.31
MCL1 Q07820 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL6793610 0.86 HTR2A (0.30) MIF
SCHEMBL6789065 0.86 MIF (0.34) MIF
SCHEMBL6787720 0.83 KDM4E (0.33) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL6787413 0.73
Trifluoroacetic Acid SCHEMBL6789062 0.71 HTR2A (0.35) MIF
Trifluoroacetic Acid SCHEMBL6787714 0.71 RAD52 (0.31) MCL1
SCHEMBL6786921 0.70 MGAT2 (0.31)
SCHEMBL6788004 0.69 RORC (0.30)
SCHEMBL4996115 0.66 MAPKAPK2 (0.41)
SCHEMBL6786885 0.64 GABRA1 (0.36) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 KDM4E 2167/4885ALDH1A1 4449/4885GLA 4217/4885

“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.