SCHEMBL6788004

SCHEMBL6788004

CC1Cc2c(nn(CCCN)c2C(=O)O)-c2ccc(OC(=O)C(F)(F)F)cc21

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.30
OPRM1 P35372 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 SCHEMBL6787997 0.87 ESR1 (0.31) RORCOPRM1
SCHEMBL6786921 0.83 MGAT2 (0.31)
Trifluoroacetic Acid SCHEMBL6786915 0.71 ESR1 (0.33)
SCHEMBL6789065 0.71 MIF (0.34)
SCHEMBL6787720 0.70 KDM4E (0.33)
SCHEMBL6794069 0.69 PLK1 (0.33)
SCHEMBL6793614 0.69 KDM4E (0.31)
SCHEMBL6792883 0.69 PLK1 (0.33)
SCHEMBL6792282 0.69 RORC (0.34) RORC
SCHEMBL6793386 0.69 PLK1 (0.32)

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
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 RORC 1054/4885OPRM1 3609/4885

“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.