SCHEMBL23915425

SCHEMBL23915425

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SSTR4 P31391 4/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPK8 P45983 1/20 0.33
TSHR P16473 1/20 0.33
SLC16A3 O15427 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL23909127 0.86 NPC1 (0.43) S1PR2ALDH1A1KDM4EHPGDLMNA
SCHEMBL23966503 0.85 S1PR2 (0.36) S1PR2ALDH1A1KDM4EHPGDLMNA
SCHEMBL23914498 0.80 KDM4E (0.41) S1PR2ALDH1A1KDM4EHPGDLMNA
SCHEMBL23914832 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL23914597 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL23914657 0.78 SMN1; SMN2 (0.36) S1PR2ALDH1A1KDM4EHPGDLMNA
SCHEMBL23914840 0.78 S1PR2 (0.38) S1PR2ALDH1A1KDM4EHPGDLMNA
SCHEMBL23914490 0.78 MAPT (0.44) S1PR2KMT2ATSHRSLC16A3HSD17B10
SCHEMBL23915526 0.77 S1PR2 (0.46) S1PR2ALDH1A1KDM4EHPGDLMNA
SCHEMBL23914489 0.76 SLC16A3 (0.33) ALDH1A1KDM4EHPGDLMNAHTT

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 S1PR2 3/4885ALDH1A1 944/4885KDM4E 3835/4885

“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.