SCHEMBL23914657

SCHEMBL23914657

COC(=O)C(C)c1nn(COCCS(C)(C)C)c2ccccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 4/20 0.35
S1PR2 O95136 5/20 0.35
PTGS2 P35354 2/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX4 Q99571 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL23914840 0.90 S1PR2 (0.38) SMN1; SMN2LMNAALDH1A1S1PR2PTGS2
SCHEMBL23914661 0.88 S1PR2 (0.37) SMN1; SMN2LMNAALDH1A1S1PR2KDM4E
SCHEMBL23908948 0.87 NPC1 (0.42) SMN1; SMN2LMNAALDH1A1S1PR2PTGS2
SCHEMBL23915526 0.84 S1PR2 (0.46) SMN1; SMN2LMNAALDH1A1S1PR2KDM4E
SCHEMBL23914498 0.79 KDM4E (0.41) SMN1; SMN2LMNAALDH1A1S1PR2KDM4E
SCHEMBL23914832 0.79 ALDH1A1 (0.36) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL23915425 0.78 S1PR2 (0.36) SMN1; SMN2LMNAALDH1A1S1PR2KDM4E
SCHEMBL23914597 0.78 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL23914841 0.78 NPC1 (0.42) SMN1; SMN2LMNAALDH1A1S1PR2KDM4E
SCHEMBL23914490 0.77 MAPT (0.44) S1PR2KMT2ATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 2920/4885LMNA 449/4885ALDH1A1 944/4885

“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.