SCHEMBL3932933

SCHEMBL3932933

COC(=O)c1ccc2ccsc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 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
SCHEMBL16970402 0.83 SMN1; SMN2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL31095680 0.82 KMT2A (0.41) CA12CA1CA2CA7CA9
SCHEMBL3933250 0.79 LDHA (0.47) KMT2AMEN1MAPTTSHRKDM4E
SCHEMBL2084218 0.78 TSHR (0.46) CA1CA2CA9KMT2AMEN1
SCHEMBL3932726 0.77 CXCR2 (0.50) KMT2AMEN1KDM4EGAAGLA
SCHEMBL3173889 0.75 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL23462322 0.74 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6283230 0.73 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL25469272 0.73 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL23462371 0.73 ABL1 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642643-B2 CXCR2 antagonists SANOFI (FR) 2014-02-04 US disclosed
EP-2041072-B1 CXCR2 ANTAGONISTS SANOFI SA (FR) 2013-09-11 EP disclosed
US-20090258906-A1 CXCR2 ANTAGONISTS SANOFI-AVENTIS (FR) 2009-10-15 US disclosed
EP-2041072-A1 CXCR2 ANTAGONISTS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008000408-A1 CXCR2 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-03 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-20090258906-A1 CXCR2 ANTAGONISTS CXCR2, CXCR1, CXCR3 CA12 2242/4885CA1 1631/4885CA2 853/4885

“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.