SCHEMBL20845785

SCHEMBL20845785

Cc1noc(C)c1-c1ccc2c(c1)C1(NC(=O)NC1=O)c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.53
▸ AKR1A1 P14550 2/20 0.53
▸ AKR1B1 P15121 2/20 0.53
▸ BRD4 O60885 15/20 0.53
▸ BRD2 P25440 1/20 0.51
▸ BRD3 Q15059 1/20 0.51
▸ BRDT Q58F21 1/20 0.51
▸ NR3C1 P04150 1/20 0.49
▸ PGR P06401 1/20 0.49
▸ NR3C2 P08235 1/20 0.49

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
SCHEMBL25892607 0.81 ITGA4 (0.55) ITGA4AKR1A1AKR1B1BRD4
SCHEMBL19754247 0.78 BRD4 (0.53) BRD4BRD2BRD3BRDTNR3C1
SCHEMBL19754222 0.78 BRD4 (0.53) BRD4BRD2BRD3BRDTNR3C1
SCHEMBL25892639 0.77 ITGA4 (0.58) ITGA4AKR1A1AKR1B1
SCHEMBL25892604 0.76 ITGA4 (0.57) ITGA4AKR1A1AKR1B1PGR
SCHEMBL21095641 0.75 ITGA4 (0.73) ITGA4AKR1A1AKR1B1
SCHEMBL20845783 0.74 ITGA4 (0.55) ITGA4AKR1A1AKR1B1
SCHEMBL21095592 0.74 ITGA4 (0.61) ITGA4AKR1A1AKR1B1
SCHEMBL20845780 0.74 ITGA4 (0.57) ITGA4AKR1A1AKR1B1
SCHEMBL25063678 0.73 ITGA4 (0.60) ITGA4AKR1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190710-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 UNIV CASE WESTERN RESERVE (US) 2023-06-22 — — US disclosed
US-20230054339-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION UNIV CASE WESTERN RESERVE (US) 2023-02-23 — — US disclosed
US-11576900-B2 Compositions and methods of reducing serum cholesterol and PCSK9 CASE WESTERN RESERVE UNIVERSITY (US) 2023-02-14 — — US disclosed
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 CASE WESTERN RESERVE UNIVERSITY 2020-08-27 — — US disclosed
US-20190183861-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION UNIV CASE WESTERN RESERVE (US) 2019-06-20 — — US disclosed
WO-2019060720-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 CASE WESTERN RESERVE UNIVERSITY (US) 2019-03-28 — — 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 (5 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-11576900-B2 Compositions and methods of reducing serum cholesterol and PCSK9 PCSK9, HMGCR, PCSK7 ITGA4 4832/4885AKR1A1 8/4885AKR1B1 9/4885
US-20230054339-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 ITGA4 4749/4885AKR1A1 3/4885AKR1B1 1/4885
US-20230190710-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 ITGA4 4832/4885AKR1A1 8/4885AKR1B1 9/4885
US-20190183861-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 ITGA4 4739/4885AKR1A1 3/4885AKR1B1 1/4885
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 ITGA4 4832/4885AKR1A1 8/4885AKR1B1 9/4885

“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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