SCHEMBL1856517

SCHEMBL1856517

COC1=C(OC)C(=S(=O)=O)C(N(C(=O)O)c2cccc(Br)c2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CLK1 P49759 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL1858552 0.79 MTNR1A (0.31) MTNR1AMTNR1BCLK1ALDH1A1
SCHEMBL1859874 0.77 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL1856340 0.74 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL1862227 0.74 MTNR1A (0.32) MTNR1AMTNR1BKMT2A
SCHEMBL1400933 0.61 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1MAPTKMT2A
SCHEMBL1858295 0.59 CHRM2 (0.32)
SCHEMBL27964007 0.58 ALDH1A1 (0.43) MTNR1AMTNR1BCLK1ALDH1A1
SCHEMBL1863737 0.58 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1MAPTKMT2A
SCHEMBL4269765 0.58 ALDH1A1 (0.48) MTNR1AMTNR1BALDH1A1MAPTKMT2A
SCHEMBL2092441 0.58 NPSR1 (0.48) MTNR1AMTNR1BALDH1A1KMT2A

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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS MTNR1A 515/4885MTNR1B 605/4885CLK1 4862/4885

“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.