SCHEMBL21101050

SCHEMBL21101050

Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOc2ccc(CN/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.43
CA2 P00918 9/20 0.43
CA12 O43570 6/20 0.41
CA9 Q16790 6/20 0.41
BCHE P06276 2/20 0.37
CNR2 P34972 2/20 0.37
SUCNR1 Q9BXA5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35
BCL2 P10415 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL20836740 0.87 CA2 (0.46) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL27446329 0.86 CA1 (0.42) CA1CA2CA12CA9MEN1
SCHEMBL21100862 0.82 CA1 (0.42) CA1CA2CA12CA9BCHE
SCHEMBL21479563 0.81 ABCG2 (0.40) CA1CA2CA12CA9BCHE
SCHEMBL10177832 0.81 CA1 (0.47) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL15010853 0.80 CA1 (0.42) CA1CA2CA12CA9MEN1
SCHEMBL12187846 0.80 CA1 (0.42) CA1CA2CA12CA9MEN1
SCHEMBL12187832 0.80 CA1 (0.42) CA1CA2CA12CA9MEN1
SCHEMBL20836747 0.79 CA2 (0.51) CA1CA2CA12CA9KMT2A
SCHEMBL26938534 0.79 POLB (0.47) CA1CA2CA12CA9MEN1

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-11077082-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS, LLC (US) 2021-08-03 US disclosed
US-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS, LLC. (US) 2019-06-25 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-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 CA1 2121/4885CA2 1756/4885CA12 1236/4885
US-11077082-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 CA1 2121/4885CA2 1756/4885CA12 1236/4885

“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.