SCHEMBL13258261

SCHEMBL13258261

COC(=O)CN(CC(=O)OC)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
CA1 P00915 10/20 0.43
CA2 P00918 9/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7563803 0.89 TDP1 (0.47) TDP1LMNATSHRPOLBKDM4E
SCHEMBL6906218 0.81 TSHR (0.40) TDP1CA1CA2LMNATSHR
SCHEMBL16982683 0.81 TDP1 (0.52) TDP1POLBSMN1; SMN2
SCHEMBL6907873 0.80 LMNA (0.39) CA1CA2LMNATSHRCA12
SCHEMBL6907851 0.79 OPRM1 (0.43) CA1CA2LMNATSHRCA12
SCHEMBL30069487 0.78 TDP1 (0.69) TDP1LMNAKDM4ESMN1; SMN2
SCHEMBL12321274 0.78 GAA (0.40) TDP1KDM4E
SCHEMBL12321275 0.78 ALDH1A1 (0.42) LMNATSHRPOLBKDM4E
SCHEMBL30580346 0.77 TDP1 (0.58) TDP1CA1CA2
SCHEMBL8597736 0.77 TDP1 (0.58) TDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210054001-A1 BRIGHT TARGETABLE RED CA2+ INDICATORS HOWARD HUGHES MEDICAL INSTITUTE 2021-02-25 US disclosed
WO-2010091126-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. (US) 2010-08-12 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-20210054001-A1 BRIGHT TARGETABLE RED CA2+ INDICATORS ATP2A2, ATP2A3, CACNB2 TDP1 2934/4885CA1 47/4885CA2 13/4885

“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.