SCHEMBL21095641

SCHEMBL21095641

Cc1ccc2c(c1)C1(NC(=O)NC1=O)c1ccccc1-2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.73
AKR1B1 P15121 13/20 0.69
AKR1A1 P14550 12/20 0.69
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CACNA1F O60840 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
SCN1A P35498 1/20 0.45
SCN4A P35499 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
CACNA1D Q01668 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL22380780 0.92 AKR1B1 (0.65) ITGA4AKR1B1AKR1A1CACNA1FALDH1A1
SCHEMBL25892679 0.91 ITGA4 (0.73) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL9810959 0.85 ITGA4 (1.00) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL31195728 0.85 ITGA4 (1.00) ITGA4AKR1B1AKR1A1CRHBPCRHR2
SCHEMBL25892565 0.84 AKR1B1 (0.70) ITGA4AKR1B1AKR1A1
SCHEMBL25892762 0.84 AKR1B1 (0.55) ITGA4AKR1B1AKR1A1
SCHEMBL10927385 0.84 AKR1A1 (0.82) ITGA4AKR1B1AKR1A1
SCHEMBL25892728 0.84 AKR1B1 (0.82) ITGA4AKR1B1AKR1A1
SCHEMBL21095561 0.82 ITGA4 (0.73) ITGA4AKR1B1AKR1A1CRHBPCRHR2
Alconil SCHEMBL1201487 0.82 AKR1A1 (0.85) ITGA4AKR1B1AKR1A1

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-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

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 4832/4885AKR1B1 9/4885AKR1A1 8/4885
US-20230054339-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 ITGA4 4749/4885AKR1B1 1/4885AKR1A1 3/4885
US-20230190710-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 ITGA4 4832/4885AKR1B1 9/4885AKR1A1 8/4885
US-20190183861-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 ITGA4 4739/4885AKR1B1 1/4885AKR1A1 3/4885
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 ITGA4 4832/4885AKR1B1 9/4885AKR1A1 8/4885

“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.