SCHEMBL23914624

SCHEMBL23914624

CCOC(=O)c1cc2cc(Cl)c(OCC(F)F)cc2n1COCCS(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.34
NOD1 Q9Y239 3/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 6/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 2/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
XBP1 P17861 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
SCHEMBL23909044 0.87 NOD2 (0.34) NOD2NOD1MEN1KMT2AMAPT
SCHEMBL23915555 0.81
SCHEMBL23914590 0.80
SCHEMBL23914623 0.77 NOD2 (0.36) NOD2NOD1MEN1KMT2AMAPT
SCHEMBL23914599 0.75 SCN9A (0.39)
SCHEMBL19523328 0.74 NOD2 (0.58) NOD2NOD1MEN1KMT2AMAPT
SCHEMBL23915418 0.74 DUT (0.36)
SCHEMBL18430282 0.74 SMN1; SMN2 (0.43) NOD2NOD1MEN1KMT2AMAPT
SCHEMBL18430269 0.69 HRH3 (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL23909113 0.67 GRM2 (0.32) MAPTNPC1

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 NOD2 1319/4885NOD1 416/4885MEN1 2554/4885

“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.