SCHEMBL2904147

SCHEMBL2904147

Cn1ccc2c(S(=O)(=O)O)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.45
TTR P02766 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RHEB Q15382 1/20 0.41
NQO2 P16083 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL15461571 0.84 RORC (0.43) RORCKDM4EALDH1A1MAPTRXFP1
SCHEMBL791339 0.82 RORC (0.43) RORCKDM4EALDH1A1MAPTRXFP1
SCHEMBL20478920 0.82 CA2 (0.47) RORCKDM4EALDH1A1MAPTRXFP1
SCHEMBL10153951 0.79 RORC (0.41) RORCKDM4EALDH1A1MAPTRXFP1
SCHEMBL2444098 0.78 RORC (0.40) RORCKDM4EALDH1A1MAPTRXFP1
SCHEMBL11519226 0.76 L3MBTL1 (0.54) ALDH1A1MAPTLMNA
SCHEMBL27034800 0.73 NQO2 (0.40) RORCKDM4EALDH1A1MAPTRXFP1
SCHEMBL31261848 0.72 CCR4 (0.51) TTRMYCCYP1A2LMNACYP2D6
SCHEMBL3052609 0.71 MYC (0.39) TTRMYCHSD11B1CYP1A2FABP4
SCHEMBL30233642 0.71 TTR (0.75) TTRALDH1A1MYCCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
EP-2471363-A1 Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants Bayer CropScience AG (DE) 2012-07-04 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
CN-101842367-A Heterocyclic compounds and pharmaceutical compositions thereof OTSUKA PHARMA CO LTD 2010-09-22 CN disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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 (2 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 RORC 980/4885TTR 2241/4885KDM4E 2634/4885
US-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C RORC 2448/4885TTR 4622/4885KDM4E 1571/4885

“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.