SCHEMBL23909094

SCHEMBL23909094

CC(C)(C)OC(=O)Cn1nc(CC(=O)O)c2ccccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
AKR1B1 P15121 10/20 0.60
KMT2A Q03164 1/20 0.60
ALOX15 P16050 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.52

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
SCHEMBL23909042 0.89 TSHR (0.55) MAPTAKR1B1KMT2AALOX15CYP1A2
SCHEMBL28377237 0.88 ALOX15 (0.56) MAPTAKR1B1KMT2AALOX15CYP1A2
SCHEMBL23909061 0.86 ALOX15 (0.53) MAPTAKR1B1KMT2AALOX15CYP1A2
SCHEMBL23915429 0.85 AKR1B1 (0.52) MAPTAKR1B1KMT2ACYP1A2CYP3A4
SCHEMBL23966512 0.84 ALOX15 (0.51) MAPTALOX15CYP1A2CYP3A4CYP2C9
SCHEMBL9327258 0.84 MAPT (0.78) MAPTAKR1B1KMT2AALOX15TSHR
SCHEMBL23915521 0.84 MAPT (0.69) MAPTAKR1B1KMT2AALOX15TSHR
SCHEMBL23908941 0.83 KDM4E (0.46) MAPTAKR1B1KMT2AALOX15CYP1A2
SCHEMBL23915567 0.82 LMNA (0.64) KMT2ATSHRPOLB
SCHEMBL23914750 0.80 MAPT (0.75) MAPTAKR1B1KMT2AALOX15TSHR

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 5 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
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
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 MAPT 4876/4885AKR1B1 124/4885KMT2A 2974/4885

“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.