SCHEMBL13671237

SCHEMBL13671237

CCCCCC(C(=O)OC)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.53
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MMP9 P14780 3/20 0.43
MMP13 P45452 3/20 0.43
ADAM17 P78536 2/20 0.43
MMP1 P03956 1/20 0.43
ABCB1 P08183 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
BIRC2 Q13490 4/20 0.40
TP53 P04637 1/20 0.40
SMPD1 P17405 3/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL28316009 0.86 CA1 (0.42) ZDHHC7CA1CA2MMP9MMP13
Hydrochloric Acid SCHEMBL28317232 0.85 CA1 (0.41) ZDHHC7CA1CA2MMP9MMP13
SCHEMBL9567278 0.84 ZDHHC7 (0.43) ZDHHC7CA2MMP9MMP13ADAM17
SCHEMBL8629278 0.84 ZDHHC7 (0.56) ZDHHC7CA1CA2MMP9MMP13
SCHEMBL7853583 0.84 ZDHHC7 (0.56) ZDHHC7CA1CA2MMP9MMP13
SCHEMBL8626292 0.84 ZDHHC7 (0.56) ZDHHC7CA1CA2MMP9MMP13
SCHEMBL8012303 0.84 ZDHHC7 (0.56) ZDHHC7CA1CA2MMP9MMP13
SCHEMBL8630360 0.84 ZDHHC7 (0.56) ZDHHC7CA1CA2MMP9MMP13
SCHEMBL2760851 0.84 ZDHHC7 (0.56) ZDHHC7CA1CA2MMP9MMP13
SCHEMBL8028639 0.84 ZDHHC7 (0.56) ZDHHC7CA1CA2MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 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 (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-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 ZDHHC7 4392/4885CA1 1274/4885CA2 1052/4885

“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.