SCHEMBL3744882

SCHEMBL3744882

COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LNPEP Q9UIQ6 6/20 0.49
CA2 P00918 3/20 0.48
CA1 P00915 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
ERAP2 Q6P179 4/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
ERAP1 Q9NZ08 3/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2905078 1.00 TSHR (0.52) TSHRTDP1GAARAB9AL3MBTL1
SCHEMBL3050377 1.00 TSHR (0.52) TSHRTDP1GAARAB9AL3MBTL1
SCHEMBL2903377 0.92 CA2 (0.59) TDP1L3MBTL1CA2CA1CA12
SCHEMBL3754838 0.92 CA2 (0.59) TDP1L3MBTL1CA2CA1CA12
SCHEMBL3752373 0.87 CACNA1H (0.49) TDP1RAB9AL3MBTL1CA2CA1
SCHEMBL2897081 0.87 CACNA1H (0.49) TDP1RAB9AL3MBTL1CA2CA1
SCHEMBL3062110 0.87 CACNA1H (0.49) TDP1RAB9AL3MBTL1CA2CA1
SCHEMBL2906079 0.85 ITGB3 (0.47) TDP1L3MBTL1CA2CA1CA12
SCHEMBL2906080 0.85 ITGB3 (0.47) TDP1L3MBTL1CA2CA1CA12
SCHEMBL3746359 0.85 ITGB3 (0.47) TDP1L3MBTL1CA2CA1CA12

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 TSHR 2032/4885TDP1 3974/4885GAA 4511/4885

“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.