SCHEMBL3213703

SCHEMBL3213703

COc1ccc2ccc(F)c(OC(=O)C(C)(C)C(=O)O)c2n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ELANE P08246 1/20 0.35
MTNR1A P48039 13/20 0.35
MTNR1B P49286 13/20 0.35
HTR2C P28335 3/20 0.33
NNMT P40261 1/20 0.32

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
SCHEMBL3544999 0.83 KCNH2 (0.36)
SCHEMBL3646080 0.81 MTNR1A (0.42) PTGS2POLBTDP1MTNR1AMTNR1B
SCHEMBL3400416 0.78 MTNR1A (0.41) PTGS2POLBTDP1MTNR1AMTNR1B
SCHEMBL3019447 0.74 POLB (0.33) POLBTDP1ELANENNMT
SCHEMBL3400408 0.69 POLB (0.40) PTGS2POLBTDP1MTNR1AMTNR1B
SCHEMBL3158506 0.69 PTGS2 (0.54) PTGS2POLBTDP1MTNR1AMTNR1B
SCHEMBL20687485 0.68 PTGS2 (0.37) PTGS2POLBTDP1MTNR1AMTNR1B
SCHEMBL14358290 0.68 TDP1 (0.51) PTGS2POLBTDP1NNMT
SCHEMBL3406526 0.68 ERN1 (0.41) PTGS2POLBTDP1MTNR1AMTNR1B
SCHEMBL3611529 0.68 ALDH1A1 (0.41) PTGS2POLBTDP1MTNR1AMTNR1B

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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB PTGS2 213/4885POLB 312/4885TDP1 2423/4885

“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.