SCHEMBL23914648

SCHEMBL23914648

COC(=O)Cc1nn(COCCS(C)(C)C)c2cc(F)ccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.36
MAPK9 P45984 6/20 0.36
MAPK10 P53779 2/20 0.36
CASP3 P42574 2/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A4 P31645 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23915534 0.90 PTGDR2 (0.39) MAPK8MAPK9MAPK10PTGDR2
SCHEMBL23914662 0.87 DGAT1 (0.36) MAPK8MAPK9MAPK10CASP3ALDH1A1
SCHEMBL23914498 0.86 KDM4E (0.41) ALDH1A1GAALMNAMAPTHSD17B10
SCHEMBL23913696 0.85 MAPK8 (0.34) MAPK8MAPK9MAPK10ATM
SCHEMBL23915023 0.83 ATM (0.33) MAPK8MAPK9MAPK10ATM
SCHEMBL23915024 0.77 CMA1 (0.32) ALDH1A1LMNAHSD17B10KDM4EKMT2A
SCHEMBL23915533 0.77 AKR1B1 (0.39) MAPTPTGDR2
SCHEMBL23914490 0.75 MAPT (0.44) MAPTHSD17B10GLAKMT2APTGDR2
SCHEMBL23909037 0.72 NPC1 (0.44) ALDH1A1GAALMNAMAPTHSD17B10
SCHEMBL23913695 0.71 DGAT1 (0.36) MAPK8MAPK9MAPK10MAPTATM

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 MAPK8 4275/4885MAPK9 3972/4885MAPK10 3337/4885

“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.