SCHEMBL19613777

SCHEMBL19613777

C=CCO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 3/20 0.41
▸ LGALS9 O00182 1/20 0.39
▸ LGALS1 P09382 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS7; LGALS7B P47929 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ SYNJ2 O15056 3/20 0.36
▸ TYMP P19971 1/20 0.36

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
SCHEMBL14819156 0.91 LGALS3 (0.50) POLBLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14819208 0.91 LGALS3 (0.50) POLBLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL5319950 0.90 LMNA (0.43) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL5319948 0.90 LMNA (0.43) LMNAKMT2APOLBALDH1A1MEN1
SCHEMBL16018720 0.86 LGALS3 (0.45) KMT2APOLBLGALS9LGALS1LGALS3
SCHEMBL7889307 0.85 LMNA (0.44) LMNAKMT2APOLBLGALS9LGALS1
SCHEMBL22389307 0.83 KMT2A (0.42) LMNAKMT2APOLBLGALS9LGALS1
SCHEMBL19613824 0.82 PTPN1 (0.44) KMT2APOLBLGALS9LGALS1LGALS3
SCHEMBL27464799 0.82 PTPN1 (0.47) KMT2APOLBLGALS9LGALS1LGALS3
SCHEMBL16392942 0.81 LMNA (0.48) LMNAKMT2APOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10918732-B2 Glycoconjugates and methods for their use THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-16 — — US disclosed
US-20190343960-A1 GLYCOCONJUGATES AND METHODS FOR THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-11-14 — — US disclosed
US-10363319-B2 Glycoconjugates and methods for their use THE BOARD OF REGENTS OF THE UNIVERITY OF TEXAS SYSTEM (US) 2019-07-30 — — US disclosed
US-20170333568-A1 GLYCOCONJUGATES AND METHODS FOR THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-23 — — 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 (4 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-20190343960-A1 GLYCOCONJUGATES AND METHODS FOR THEIR USE LGALS3, B3GAT3, GALNT3 LMNA 1760/4885KMT2A 3309/4885POLB 4073/4885
US-10918732-B2 Glycoconjugates and methods for their use LGALS3, B3GAT3, GALNT3 LMNA 1760/4885KMT2A 3309/4885POLB 4073/4885
US-10363319-B2 Glycoconjugates and methods for their use B3GAT3, LGALS3, GALNT3 LMNA 1712/4885KMT2A 3288/4885POLB 3949/4885
US-20170333568-A1 GLYCOCONJUGATES AND METHODS FOR THEIR USE B3GAT3, LGALS3, GALNT3 LMNA 1712/4885KMT2A 3288/4885POLB 3949/4885

“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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