SCHEMBL23915429

SCHEMBL23915429

CC(C)(C)OC(=O)Cn1nc(CC(=O)O)c2cc(Br)ccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 17/20 0.52
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
MEN1 O00255 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL23915612 0.89 RECQL (0.54) AKR1B1CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL23909094 0.85 MAPT (0.64) AKR1B1KMT2ACYP1A2CYP2C9MAPT
SCHEMBL29774891 0.78 AKR1B1 (0.38) AKR1B1KMT2AMAPT
SCHEMBL24077161 0.78 ALOX15 (0.68) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL30168552 0.78 ALOX15 (0.68) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL26733143 0.77 TSHR (0.51) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL29774853 0.77 AKR1B1 (0.37) AKR1B1MAPT
SCHEMBL26733145 0.76 TSHR (0.53) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL26733141 0.76 TSHR (0.50) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL24076931 0.75 CYP2C19 (0.60) KMT2ACYP1A2CYP2C9MEN1HSD17B10

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 AKR1B1 124/4885KMT2A 2974/4885CYP1A2 1079/4885

“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.