SCHEMBL21786537

SCHEMBL21786537

CS(=O)(=O)c1cccc(-c2c(OCc3ccc(Cl)cc3)ccc(-c3cc(C(F)(F)F)n[nH]3)c2O)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
PTGER1 P34995 4/20 0.39
PSD A5PKW4 1/20 0.37
PLK4 O00444 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
PTGS2 P35354 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SYK P43405 1/20 0.35
TBXA2R P21731 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL21786536 0.79 PTGER1 (0.41) SLC6A4PTGER1MRGPRX4PTGDR2TBXA2R
SCHEMBL21786482 0.79 TBXA2R (0.37) SLC6A4PTGER1MRGPRX4TBXA2R
SCHEMBL21786626 0.79 MAPT (0.39) MRGPRX4
SCHEMBL21786597 0.79 MAPT (0.38) SLC6A4MRGPRX4
SCHEMBL22791110 0.78 TBXA2R (0.36) SLC6A4PTGER1MRGPRX4TBXA2R
SCHEMBL21786475 0.77 TBXA2R (0.35) SLC6A4PTGER1MRGPRX4TBXA2R
SCHEMBL21786594 0.77 CYSLTR1 (0.42) SLC6A4MRGPRX4NR1H2NR1H3
SCHEMBL22791109 0.77 CNR1 (0.37) PTGER1MRGPRX4TBXA2R
SCHEMBL23913056 0.76 TBXA2R (0.35) PTGER1MRGPRX4TBXA2R
SCHEMBL22791319 0.76 SLC6A4 (0.42) SLC6A4MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
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 (3 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 SLC6A4 4129/4885PTGER1 4862/4885PSD 3716/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 SLC6A4 4129/4885PTGER1 4862/4885PSD 3716/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 SLC6A4 4129/4885PTGER1 4862/4885PSD 3716/4885

“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.