SCHEMBL2372573

SCHEMBL2372573

O=S(=O)(N[C]1CC1)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.58
TSHR P16473 1/20 0.55
PGR P06401 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
EDNRB P24530 2/20 0.51
EDNRA P25101 2/20 0.51
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
PFKFB3 Q16875 1/20 0.49
ACLY P53396 1/20 0.49

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
SCHEMBL31110643 0.80 TSHR (0.74) HCRTR1TSHRPGRCA1CA2
SCHEMBL812673 0.80 TSHR (0.74) HCRTR1TSHRPGRCA1CA2
SCHEMBL2442796 0.79 TSHR (0.43) HCRTR1TSHRPGREDNRAKDM4E
SCHEMBL2372245 0.79 FABP4 (0.47) HCRTR1EDNRBEDNRAMEN1KMT2A
SCHEMBL6580093 0.79 CA1 (0.61) HCRTR1TSHRPGRCA1CA2
SCHEMBL2372274 0.76 CYP1A2 (0.43) HCRTR1ALDH1A1HTTKDM4ECYP1A2
SCHEMBL2371075 0.76 RXFP1 (0.57) EDNRAALDH1A1HTTMEN1KMT2A
SCHEMBL2372369 0.76 GAA (0.56) TSHRALDH1A1HTTKDM4E
SCHEMBL5046687 0.76 TSHR (0.64) HCRTR1TSHRPGRCA1CA2
SCHEMBL10994471 0.76 CA1 (0.57) HCRTR1TSHRPGRCA1CA2

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
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP claimed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US claimed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO claimed
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP disclosed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 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-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS STS, ARSA, TST HCRTR1 4022/4885TSHR 3315/4885PGR 3810/4885

“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.