SCHEMBL21786632

SCHEMBL21786632

N#Cc1ccc(COc2ccc(-c3cc(C(F)(F)F)[nH]n3)c(O)c2-c2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 2/20 0.37
CTSS P25774 3/20 0.36
FAAH O00519 2/20 0.36
CETP P11597 1/20 0.35
MRGPRX4 Q96LA9 4/20 0.35
CNR1 P21554 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A4 P31645 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSK P43235 1/20 0.34
ARF6 P62330 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL21786628 0.91 SLC6A4 (0.40) GYS1MRGPRX4CNR1SLC6A4TP53
SCHEMBL23913081 0.90 GYS1 (0.41) GYS1MRGPRX4CNR1PTGDR2TP53
SCHEMBL21786410 0.84 MRGPRX4 (0.41) MRGPRX4CNR1PTGDR2SLC6A4TP53
SCHEMBL21786469 0.84 SLC6A4 (0.40) GYS1MRGPRX4CNR1SLC6A4TP53
SCHEMBL21786417 0.84 ALOX5AP (0.37) GYS1FAAHMRGPRX4CNR1SLC6A4
SCHEMBL22790970 0.83 CTSS (0.38) CTSSFAAHMRGPRX4PTGDR2ALOX15
SCHEMBL21786633 0.81 SCN9A (0.37) CTSSMRGPRX4ALOX15MAPK1HSD17B10
SCHEMBL21786544 0.80 HPGD (0.36) GYS1FAAHTP53ALOX15MAPK1
SCHEMBL21786418 0.79 MRGPRX4 (0.43) GYS1MRGPRX4CNR1PTGDR2SLC6A4
SCHEMBL21786447 0.79 GYS1 (0.39) GYS1MRGPRX4CNR1SLC6A4TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 WO 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 (2 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 GYS1 4422/4885CTSS 3105/4885FAAH 4768/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 GYS1 4422/4885CTSS 3105/4885FAAH 4768/4885

“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.