SCHEMBL1034686

SCHEMBL1034686

O=Cc1ccc(S(=O)(=O)OCCOc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KCNA3 P22001 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.39
PTPN1 P18031 1/20 0.39
PKM P14618 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL14323764 0.94 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL1607966 0.85 KCNA3 (0.50) ALDH1A1MAPTCA12CA1CA9
SCHEMBL3602803 0.85 CA12 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL15218250 0.82 CA12 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8392921 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL1395593 0.81 CA12 (0.55) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL14275050 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL6914766 0.78 CA12 (0.52) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL7191275 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4739840 0.77 KCNA3 (0.54) ALDH1A1CA12CA1CA9KCNA3

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-20110112293-A1 Purification Strategy for Direct Nucleophilic Procedures BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-12 US disclosed
US-20110112293-A1 Purification Strategy for Direct Nucleophilic Procedures BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-12 US disclosed
US-20110112293-A1 Purification Strategy for Direct Nucleophilic Procedures BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-12 US disclosed
EP-2276717-A1 PURIFICATION STRATEGY FOR DIRECT NUCLEOPHILIC PROCEDURES Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-26 EP disclosed
WO-2009127372-A1 PURIFICATION STRATEGY FOR DIRECT NUCLEOPHILIC PROCEDURES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed
WO-2009127372-A1 PURIFICATION STRATEGY FOR DIRECT NUCLEOPHILIC PROCEDURES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 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-20110112293-A1 Purification Strategy for Direct Nucleophilic Procedures MLX, SRM, STS ALDH1A1 974/4885SMN1; SMN2 1590/4885LMNA 154/4885

“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.