SCHEMBL13657668

SCHEMBL13657668

COC1=C(C(=O)O)CC=C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.38
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA12 O43570 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA3 P07451 1/20 0.31
PKM P14618 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
TPMT P51580 1/20 0.31

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
SCHEMBL17803654 0.76 CA1 (0.31) CA1CA2CA12CA7CA9
SCHEMBL20043145 0.71
SCHEMBL890639 0.69 PYGM (0.52) PYGM
SCHEMBL13657660 0.69
SCHEMBL4827962 0.69 PYGM (0.43) PYGM
SCHEMBL14302870 0.68 KDM4E (0.31)
SCHEMBL16749889 0.67
SCHEMBL16749888 0.67
SCHEMBL15457433 0.62 LMNA (0.39) CA1CA2CA12CA7CA9
SCHEMBL14502255 0.62 SMN1; SMN2 (0.40)

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-8980938-B2 CXCR2 inhibitors SANOFI (FR) 2015-03-17 US disclosed
US-8642643-B2 CXCR2 antagonists SANOFI (FR) 2014-02-04 US disclosed
US-20090258906-A1 CXCR2 ANTAGONISTS SANOFI-AVENTIS (FR) 2009-10-15 US disclosed
US-20090258936-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-10-15 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-20090258936-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 PYGM 3027/4885CA1 1572/4885CA2 745/4885
US-20090258906-A1 CXCR2 ANTAGONISTS CXCR2, CXCR1, CXCR3 PYGM 3249/4885CA1 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.