SCHEMBL2903213

SCHEMBL2903213

O=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
CA2 P00918 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
GLA P06280 1/20 0.48
POLB P06746 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL2897478 0.86 NPC1 (0.50) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL2903472 0.84 ALDH1A1 (0.54) ALDH1A1MAPTHPGDCA2TDP1
SCHEMBL3756565 0.82 POLB (0.57) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL2903462 0.80 BDKRB1 (0.45) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL3757580 0.80 USP5 (0.51) ALDH1A1MAPTHPGDL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL3750935 0.80 KDM1A (0.43) ALDH1A1MAPTHPGDPOLBKDM4E
SCHEMBL3751486 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPSR1SMN1; SMN2
SCHEMBL3749390 0.79 BDKRB1 (0.44) ALDH1A1MAPTHPGDL3MBTL1NPSR1
SCHEMBL2905688 0.79 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL3052663 0.79 BDKRB1 (0.60) ALDH1A1HPGDCA2CA1KDM4E

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 3 patents. 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
EP-2215055-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS Richter Gedeon Nyrt. (HU) 2010-08-11 EP disclosed
WO-2009053763-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ BL ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2009-04-30 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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, NPBWR1 ALDH1A1 4439/4885MAPT 2706/4885HPGD 498/4885

“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.