SCHEMBL23909123

SCHEMBL23909123

CCOC(=O)c1cn(Cc2nc3cc(OCC(F)F)c(C#N)cc3[nH]2)c2ccccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.40
AR P10275 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
P2RX3 P56373 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.35
GALR3 O60755 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL23908833 0.90 S1PR2 (0.44) S1PR2LMNATSHRGALR3ALDH1A1
SCHEMBL23909032 0.79 HTT (0.36) ARTDP1MAPTP2RX3LMNA
SCHEMBL23966538 0.79 HTT (0.36) ARTDP1MAPTP2RX3LMNA
SCHEMBL23966537 0.79 HTT (0.36) ARTDP1MAPTP2RX3LMNA
SCHEMBL23915348 0.79 HSD17B10 (0.36) ARTDP1MAPTP2RX3LMNA
SCHEMBL23914687 0.78 S1PR2 (0.52) S1PR2TDP1P2RX3
SCHEMBL23914685 0.78 S1PR2 (0.54) S1PR2ARTDP1MAPTP2RX3
SCHEMBL23914625 0.78 HTT (0.36) ARTDP1MAPTP2RX3LMNA
SCHEMBL23915349 0.77 HSD17B10 (0.36) ARTDP1MAPTP2RX3LMNA
SCHEMBL23966825 0.74 S1PR2 (0.35) S1PR2HTTHSD17B10

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 3 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
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

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 3/4885AR 890/4885TDP1 3466/4885

“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.