SCHEMBL23915519

SCHEMBL23915519

CC(C(=O)OC(C)(C)C)n1nc(CC(=O)O)c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
AKR1B1 P15121 10/20 0.53
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL23915417 0.89 POLB (0.52) POLBAKR1B1MAPTL3MBTL1KMT2A
SCHEMBL23909094 0.76 MAPT (0.64) POLBAKR1B1MAPTL3MBTL1KMT2A
SCHEMBL9218773 0.73 POLB (0.69) POLBAKR1B1MAPTKMT2A
SCHEMBL23908905 0.72 MAPT (0.67) POLBMAPTL3MBTL1KMT2AKDM4E
SCHEMBL15597471 0.71 MAPT (0.68) POLBMAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL23914926 0.71 MAPT (0.48) POLBAKR1B1MAPTKMT2ASMN1; SMN2
SCHEMBL23914636 0.70 SMN1; SMN2 (0.50) POLBMAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL23915521 0.69 MAPT (0.69) POLBAKR1B1MAPTKMT2APTGDR2
SCHEMBL6890822 0.69 MAPT (1.00) POLBAKR1B1MAPTKMT2ARECQL
SCHEMBL23909111 0.69 MAPT (0.73) POLBMAPTL3MBTL1KMT2AKDM4E

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 POLB 3606/4885AKR1B1 124/4885MAPT 4876/4885

“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.