SCHEMBL4990027

SCHEMBL4990027

Cc1ccccc1S(=O)(=O)OCC(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
SCN4A P35499 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36

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
SCHEMBL6982217 0.86 LMNA (0.44) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL10916647 0.83 MEN1 (0.41) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL140993 0.81 KMT2A (0.43) CYP1A2CYP2C9CYP2C19CA1CA2
SCHEMBL10486326 0.80 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL4753846 0.80 MEN1 (0.39) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL29083223 0.79 MEN1 (0.41) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL5147546 0.79 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL11000896 0.78 KMT2A (0.45) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL8654494 0.78 KMT2A (0.45) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7340045 0.78 KMT2A (0.45) CYP1A2CYP2C9CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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 (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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 CYP1A2 1513/4885CYP2C9 3080/4885CYP2C19 1449/4885

“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.