SCHEMBL22380713

SCHEMBL22380713

COc1c(-c2ccc3c(c2)-c2ncccc2C32NC(=O)NC2=O)ccc2c1-c1ccccc1C21NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 10/20 0.44
▸ AKR1A1 P14550 9/20 0.44
▸ ITGA4 P13612 1/20 0.43
▸ TNF P01375 4/20 0.36
▸ ADAM17 P78536 3/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL25063677 0.80 AKR1A1 (0.43) AKR1B1AKR1A1ITGA4TNFADAM17
SCHEMBL9671809 0.77 ITGA4 (0.68) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL9671558 0.69 AKR1B1 (0.59) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL9672105 0.69 AKR1A1 (0.68) AKR1B1AKR1A1ITGA4
SCHEMBL10907091 0.69 AKR1B1 (0.68) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL21095592 0.69 ITGA4 (0.61) AKR1B1AKR1A1ITGA4ADAM17CRHBP
SCHEMBL21095582 0.67 ITGA4 (0.58) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL25063575 0.67 ITGA4 (0.58) AKR1B1AKR1A1ITGA4CRHBPCRHR2
SCHEMBL20845782 0.67 AKR1B1 (0.69) AKR1B1AKR1A1ITGA4
SCHEMBL22380690 0.67 AKR1B1 (0.73) AKR1B1AKR1A1ITGA4ADAM17

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-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

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-11576900-B2 Compositions and methods of reducing serum cholesterol and PCSK9 PCSK9, HMGCR, PCSK7 AKR1B1 9/4885AKR1A1 8/4885ITGA4 4832/4885
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 AKR1B1 9/4885AKR1A1 8/4885ITGA4 4832/4885

“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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