SCHEMBL2621905

SCHEMBL2621905

CCCCCCCCCC(CCC)NS(=O)(=O)C(CCCCC)CCCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 6/20 0.33
FDPS P14324 3/20 0.33
GPR84 Q9NQS5 2/20 0.33
CA12 O43570 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33

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
SCHEMBL12656354 0.81 TP53 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL9186145 0.77 TP53 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL20981230 0.77 GRIA1 (0.38) TP53CA1CA2CA9CA12
SCHEMBL24665644 0.76 TP53 (0.41) TP53ADH1BADH1CADH1AADH4
SCHEMBL24667475 0.76 TP53 (0.41) TP53ADH1BADH1CADH1AADH4
SCHEMBL16917410 0.76 TP53 (0.41) TP53ADH1BADH1CADH1AADH4
SCHEMBL24665758 0.76 TP53 (0.41) TP53ADH1BADH1CADH1AADH4
SCHEMBL9186141 0.76 TP53 (0.41) TP53ADH1BADH1CADH1AADH4
SCHEMBL12656353 0.75 TP53 (0.39) TP53ADH1BADH1CADH1AADH4
SCHEMBL11335725 0.74 TP53 (0.42) TP53ADH1BADH1CADH1AADH4

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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI TP53 4049/4885ADH1B 803/4885ADH1C 2849/4885

“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.