SCHEMBL832607

SCHEMBL832607

CC(C(=O)O)c1cccc(S(C)(=N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.51
PTGS2 P35354 6/20 0.51
MAPT P10636 3/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
SLC22A6 Q4U2R8 2/20 0.51
HIF1A Q16665 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CXCL8 P10145 1/20 0.51
THPO P40225 1/20 0.51
AKR1C3 P42330 6/20 0.51

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
SCHEMBL27503812 0.87 AKR1C3 (0.67) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL995303 0.82 PTGS1 (0.53) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL4027609 0.82 PTGS1 (0.53) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL27870611 0.82 PTGS2 (0.57) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL602096 0.78 PTGS2 (0.69) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL835127 0.76 AKR1C3 (0.44) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL490681 0.75 PTGS1 (0.61) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL3858080 0.75 PTGS1 (0.61) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL6500176 0.74 SMN1; SMN2 (0.55) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL9490769 0.74 PTGS1 (0.59) PTGS1PTGS2MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 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 (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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 PTGS1 635/4885PTGS2 665/4885MAPT 1650/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 PTGS1 649/4885PTGS2 648/4885MAPT 4786/4885

“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.