SCHEMBL23914489

SCHEMBL23914489

CS(C)(C)CCOCn1nc(CCO)c(=O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL23914490 0.85 MAPT (0.44) SLC16A3HSD17B10KMT2AALOX15MAPT
SCHEMBL23908827 0.85 NPC1 (0.43) SLC16A3HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL23913696 0.85 MAPK8 (0.34)
SCHEMBL23915295 0.84 CNKSR1 (0.35) SLC16A3ALDH1A1
SCHEMBL23915532 0.84 CMA1 (0.32) CMA1
SCHEMBL23914498 0.84 KDM4E (0.41) SLC16A3HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL23914832 0.77 ALDH1A1 (0.36) HSD17B10ALDH1A1KMT2ALMNAKDM4E
SCHEMBL23915425 0.76 S1PR2 (0.36) SLC16A3HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL23914597 0.76 ALDH1A1 (0.35) HSD17B10ALDH1A1KMT2ALMNAKDM4E
SCHEMBL23660727 0.75 GLS (0.33) ALDH1A1KMT2ALMNAKDM4EHPGD

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 SLC16A3 4122/4885HSD17B10 2447/4885ALDH1A1 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.