SCHEMBL835333

SCHEMBL835333

CC[C@@H](C(=O)O)S(=N)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.44
HSD11B1 P28845 3/20 0.43
BCAT1 P54687 1/20 0.40
MMP1 P03956 3/20 0.39
MMP7 P09237 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
ACE P12821 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
CCR5 P51681 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL835334 1.00 PSIP1 (0.44) PSIP1HSD11B1BCAT1MMP1MMP7
SCHEMBL1476603 1.00 PSIP1 (0.44) PSIP1HSD11B1BCAT1MMP1MMP7
SCHEMBL1700880 0.81 MMP2 (0.50) PSIP1HSD11B1MMP1MMP7MMP12
Hydrochloric Acid SCHEMBL5120935 0.80 MMP2 (0.49) PSIP1HSD11B1MMP1MMP7MMP12
SCHEMBL12486241 0.76 PSIP1 (0.48) PSIP1HSD11B1MMP1MMP7MMP12
SCHEMBL10800445 0.73 CA1 (0.44) MMP1MMP13L3MBTL1MMP2MMP9
SCHEMBL1476455 0.72 HSD11B1 (0.38) PSIP1HSD11B1MMP1MMP7MMP12
SCHEMBL833215 0.72 HSD11B1 (0.38) PSIP1HSD11B1MMP1MMP7MMP12
SCHEMBL6559430 0.71 ATM (0.46) PSIP1HSD11B1MMP1MMP7MMP12
SCHEMBL6683343 0.71 MMP2 (0.68) PSIP1HSD11B1MMP1MMP7MMP12

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 PSIP1 3229/4885HSD11B1 4291/4885BCAT1 2472/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 PSIP1 2880/4885HSD11B1 3429/4885BCAT1 1537/4885

“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.