Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786447

SCHEMBL21786447

SCHEMBL21786447

Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc(OCc2ccc(Cl)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GYS1 P13807 2/20 0.39
▸ MAPT P10636 4/20 0.39
▸ TP53 P04637 3/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ SLC6A4 P31645 2/20 0.37
▸ PTGER1 P34995 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ PTPN1 P18031 1/20 0.36

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
SCHEMBL21786418 0.93 MRGPRX4 (0.43) GYS1MAPTTP53ALOX5APMAPK1
SCHEMBL21786408 0.92 HPGD (0.45) GYS1MAPTTP53TDP1ALOX5AP
SCHEMBL21786469 0.90 SLC6A4 (0.40) GYS1MAPTTP53ALOX5APMAPK1
SCHEMBL22791321 0.90 GYS1 (0.38) GYS1MAPTTP53ALOX5APMAPK1
SCHEMBL23913081 0.89 GYS1 (0.41) GYS1MAPTTP53ALOX5APMAPK1
SCHEMBL21786588 0.89 MRGPRX4 (0.39) GYS1MAPTTP53ALOX5APMAPK1
SCHEMBL22790944 0.88 SMPD1 (0.39) GYS1TP53ALOX5APMAPK1ALOX15
SCHEMBL23913084 0.88 GYS1 (0.37) GYS1MAPTTP53ALOX5APMAPK1
SCHEMBL21786417 0.88 ALOX5AP (0.37) GYS1MAPTTP53ALOX5APMAPK1
SCHEMBL21786628 0.88 SLC6A4 (0.40) GYS1MAPTTP53ALOX5APMAPK1

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 GYS1 4422/4885MAPT 3689/4885TP53 5/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 GYS1 4422/4885MAPT 3689/4885TP53 5/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 GYS1 4422/4885MAPT 3689/4885TP53 5/4885

“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.