SCHEMBL23914625

SCHEMBL23914625

CCOC(=O)c1cn(Cc2nc3cc(C#N)c(OCC(F)F)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 1/20 0.36
DGAT1 O75907 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
P2RX3 P56373 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.32
KLKB1 P03952 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
KMT2A Q03164 1/20 0.32
GALR3 O60755 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
P2RY12 Q9H244 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL23909032 0.97 HTT (0.36) HTTHSD17B10ARDGAT1TDP1
SCHEMBL23915349 0.92 HSD17B10 (0.36) HTTHSD17B10ARTDP1P2RX3
SCHEMBL23966538 0.89 HTT (0.36) HTTHSD17B10ARTDP1P2RX3
SCHEMBL23966537 0.89 HTT (0.36) HTTHSD17B10ARTDP1P2RX3
SCHEMBL23915348 0.89 HSD17B10 (0.36) HTTHSD17B10ARTDP1P2RX3
SCHEMBL23909123 0.78 S1PR2 (0.40) HTTHSD17B10ARTDP1P2RX3
SCHEMBL23915582 0.77 HTT (0.38) HTTHSD17B10DGAT1NPC1
SCHEMBL23915383 0.75 PARP1 (0.35) ARNPC1LMNATSHR
SCHEMBL23966524 0.75 PTGES (0.31)
SCHEMBL23966523 0.71

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 2 patents. 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
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 HTT 4536/4885HSD17B10 2447/4885AR 890/4885

“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.