SCHEMBL12430872

SCHEMBL12430872

Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
HSP90AA1 P07900 1/20 0.51
ESR2 Q92731 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHEK2 O96017 4/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50

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
SCHEMBL14493326 0.87 MAPT (0.51) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL17702662 0.85 NPBWR1 (0.61) ALDH1A1HSP90AA1ESR2TDP1MEN1
SCHEMBL17089134 0.83 HDAC6 (0.60) ALDH1A1KDM4EHPGDHSP90AA1ESR2
SCHEMBL12431583 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSP90AA1ESR2
SCHEMBL3391201 0.80 CA12 (0.53) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL15381366 0.80 MAPT (0.54) ALDH1A1KDM4EHPGDHSP90AA1ESR2
SCHEMBL16134481 0.78 GAA (0.63) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL17702670 0.77 ALDH1A1 (0.70) ALDH1A1KDM4EHSP90AA1ESR2TDP1
SCHEMBL21905330 0.76 SCD (0.57) ALDH1A1KDM4EHSP90AA1ESR2TDP1
SCHEMBL17845567 0.76 KDM4E (0.59) ALDH1A1KDM4EHPGDCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP 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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 ALDH1A1 1503/4885KDM4E 2304/4885HPGD 588/4885

“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.