SCHEMBL3752373

SCHEMBL3752373

COC(=O)[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.49
CACNA1B Q00975 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LIMK2 P53671 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CCR1 P32246 1/20 0.43

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
SCHEMBL3062110 1.00 CACNA1H (0.49) CACNA1HCACNA1BTDP1PTGDR2POLB
SCHEMBL2897081 1.00 CACNA1H (0.49) CACNA1HCACNA1BTDP1PTGDR2POLB
SCHEMBL3749426 0.92 CA2 (0.53) CACNA1HCACNA1BTDP1PTGDR2POLB
SCHEMBL3044049 0.92 CA2 (0.53) CACNA1HCACNA1BTDP1PTGDR2POLB
SCHEMBL3049367 0.88 POLB (0.49) CACNA1HCACNA1BTDP1PTGDR2POLB
SCHEMBL3757218 0.88 POLB (0.55) CACNA1HCACNA1BTDP1PTGDR2POLB
SCHEMBL3050377 0.87 TSHR (0.52) TDP1PTGDR2L3MBTL1HDAC3HDAC1
SCHEMBL3744882 0.87 TSHR (0.52) TDP1PTGDR2L3MBTL1HDAC3HDAC1
SCHEMBL2905078 0.87 TSHR (0.52) TDP1PTGDR2L3MBTL1HDAC3HDAC1
SCHEMBL3744963 0.82 CA2 (0.52) CACNA1HCACNA1BTDP1PTGDR2POLB

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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, NPBWR1 CACNA1H 1671/4885CACNA1B 881/4885TDP1 3974/4885

“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.