SCHEMBL23914948

SCHEMBL23914948

CCOC(=O)c1cn(CC(=O)O)c2ccccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
LMNA P02545 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CNR1 P21554 1/20 0.51
P2RX3 P56373 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CNR2 P34972 1/20 0.50
TP53 P04637 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
SCHEMBL8694448 0.91 KMT2A (0.68) KMT2ALMNAPOLBL3MBTL1ALDH1A1
SCHEMBL7056985 0.88 LMNA (0.69) KMT2ALMNATDP1POLBALDH1A1
SCHEMBL15956289 0.86 LMNA (0.70) LMNAL3MBTL1ALDH1A1P2RX3CNR2
SCHEMBL18833437 0.86 KMT2A (0.69) KMT2ALMNATDP1POLBL3MBTL1
SCHEMBL23915480 0.84 LMNA (0.58) KMT2ALMNATDP1POLBL3MBTL1
SCHEMBL18833435 0.84 CNR1 (0.68) LMNATDP1CNR1CNR2
SCHEMBL18833432 0.82 CNR1 (0.73) CNR1CNR2
SCHEMBL11895496 0.82 P2RX3 (0.62) LMNAL3MBTL1P2RX3TP53
SCHEMBL18833434 0.81 CNR1 (0.72) CNR1CNR2
SCHEMBL30417310 0.81 CNR1 (0.72) CNR1CNR2

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 KMT2A 2974/4885LMNA 449/4885TDP1 3466/4885

“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.