SCHEMBL835595

SCHEMBL835595

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.50
MMP7 P09237 1/20 0.50
MMP14 P50281 1/20 0.50
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 4/20 0.46
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
HTR6 P50406 1/20 0.42
PSIP1 O75475 1/20 0.41
BCAT1 P54687 1/20 0.41
FFAR1 O14842 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL834353 1.00 MMP2 (0.50) MMP2MMP7MMP14CYP2C19HSD11B1
SCHEMBL12750892 0.79 KMT2A (0.58) CYP2C19HSD11B1TSHRSMN1; SMN2KMT2A
SCHEMBL270706 0.77 MMP2 (0.77) MMP2MMP7MMP14HSD11B1SMN1; SMN2
SCHEMBL6552547 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2
SCHEMBL6552246 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL20473391 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2
SCHEMBL6553661 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL20473392 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL8418478 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2
SCHEMBL6553421 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
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
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 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 (3 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 MMP2 1207/4885MMP7 1366/4885MMP14 1554/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 MMP2 1207/4885MMP7 1366/4885MMP14 1554/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 MMP2 1207/4885MMP7 1366/4885MMP14 1554/4885

“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.