SCHEMBL10037152

SCHEMBL10037152

Cc1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ACHE P22303 1/20 0.49
PKM P14618 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL29110399 0.91 NPSR1 (0.51) GAAHPGDL3MBTL1MCOLN3NPSR1
SCHEMBL19011450 0.88 GAA (0.52) GAAHPGDL3MBTL1MCOLN3NPSR1
SCHEMBL6880159 0.88 GAA (0.52) GAAHPGDL3MBTL1MCOLN3NPSR1
SCHEMBL9217074 0.88 GAA (0.54) GAAHPGDL3MBTL1MCOLN3NPSR1
SCHEMBL10037151 0.87 TRPA1 (0.61) GAAL3MBTL1ALDH1A1HTTLMNA
SCHEMBL16980492 0.86 TSHR (0.62) L3MBTL1NPSR1ACHEALDH1A1LMNA
SCHEMBL5885882 0.85 GAA (0.46) GAAHPGDL3MBTL1MCOLN3NPSR1
SCHEMBL10037154 0.84 ALDH1A1 (0.55) GAAACHEALDH1A1LMNA
SCHEMBL10037208 0.82 GAA (0.49) GAAHPGDL3MBTL1MCOLN3NPSR1
SCHEMBL10037207 0.82 GAA (0.49) GAAHPGDL3MBTL1MCOLN3NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 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 (3 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 GAA 442/4885HPGD 523/4885L3MBTL1 4553/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL GAA 1163/4885HPGD 2879/4885L3MBTL1 1661/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT GAA 488/4885HPGD 1930/4885L3MBTL1 2857/4885

“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.