SCHEMBL23909042

SCHEMBL23909042

COC(=O)Cc1nn(CC(=O)OC(C)(C)C)c(=O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
RECQL P46063 1/20 0.55
ALOX15 P16050 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.51
AKR1B1 P15121 5/20 0.50
MAPT P10636 1/20 0.50
S1PR2 O95136 2/20 0.48
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL23909094 0.89 MAPT (0.64) TSHRRECQLALOX15CYP1A2CYP3A4
SCHEMBL23915394 0.87 RECQL (0.56) TSHRRECQLALOX15CYP1A2CYP3A4
SCHEMBL23966512 0.86 ALOX15 (0.51) TSHRRECQLALOX15CYP1A2CYP3A4
SCHEMBL23909061 0.85 ALOX15 (0.53) TSHRRECQLALOX15CYP1A2CYP3A4
SCHEMBL23909083 0.84 KDM4E (0.51) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL23914631 0.83 RECQL (0.60) TSHRRECQLALOX15CYP1A2CYP3A4
SCHEMBL28377237 0.82 ALOX15 (0.56) TSHRRECQLALOX15CYP1A2CYP3A4
SCHEMBL9529811 0.82 RECQL (0.62) TSHRRECQLALOX15CYP1A2CYP3A4
SCHEMBL23915567 0.81 LMNA (0.64) TSHRKMT2ASMN1; SMN2
SCHEMBL23915619 0.81 TSHR (0.45) TSHRRECQLCYP1A2CYP3A4CYP2C9

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 TSHR 588/4885RECQL 1509/4885ALOX15 329/4885

“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.