SCHEMBL19677586

SCHEMBL19677586

CC(=O)Cc1cc(I)c(Oc2cc(I)c(OCc3cn(CC4O[C@@H]5O[C@@H]6OC(CO)[C@H](O[C@H]7OC(CO)[C@H](O[C@H]8OC(CO)[C@H](O[C@@H]9C(CO)O[C@@H](O[C@@H]%10C(CO)O[C@H](O[C@H]4C(O)[C@@H]5O)[C@@H](O)C%10O)[C@@H](O)C9O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)nn3)c(I)c2)c(I)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.41
▸ ITGAV P06756 2/20 0.41
▸ CHRNA7 P36544 1/20 0.37
▸ LGALS3 P17931 3/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CA9 Q16790 1/20 0.34
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ TXNRD1 Q16881 1/20 0.32
▸ TXNRD3 Q86VQ6 1/20 0.32
▸ TXNRD2 Q9NNW7 1/20 0.32

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
SCHEMBL20910141 0.85 ITGB3 (0.43) ITGB3ITGAVCHRNA7LGALS3ESR1
SCHEMBL19677577 0.78 THRB (0.35) ITGB3ITGAVTHRATHRBRXRA
SCHEMBL19677582 0.76 THRB (0.34) ITGB3ITGAVTHRATHRBRXRA
SCHEMBL20724700 0.74 ITGB3 (0.37) ITGB3ITGAVTHRATHRBRXRA
SCHEMBL19677585 0.73 ITGB3 (0.53) ITGB3ITGAVCA9THRATHRB
SCHEMBL19677591 0.71 ITGB3 (0.71) ITGB3ITGAVTHRATHRBRXRA
SCHEMBL19677575 0.70 ITGB3 (0.61) ITGB3ITGAVTHRATHRBRXRA
SCHEMBL20724701 0.68 ITGB3 (0.33) ITGB3ITGAV
SCHEMBL19708683 0.66 THRB (0.57) ITGB3ITGAVTHRATHRBRXRA
SCHEMBL23984251 0.65 ITGB3 (0.52) ITGB3ITGAVTHRATHRBRXRA

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-20170348425-A1 NON-CLEAVABLE POLYMER CONJUGATED WITH ALPHA V BETA 3 INTEGRIN THYROID ANTAGONISTS NANOPHARMACEUTICALS, LLC 2017-12-07 — — 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-20170348425-A1 NON-CLEAVABLE POLYMER CONJUGATED WITH ALPHA V BETA 3 INTEGRIN THYROID ANTAGONISTS THRA, CD44, ITGAV ITGB3 4/4885ITGAV 3/4885CHRNA7 2298/4885

“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.

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