Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786469

SCHEMBL21786469

SCHEMBL21786469

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.40
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GYS1 P13807 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CNR1 P21554 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP28 Q96RU2 1/20 0.34

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 0.93 SLC6A4 (0.40) SLC6A4TP53ALOX15MAPK1HSD17B10
SCHEMBL21786417 0.91 ALOX5AP (0.37) SLC6A4TP53ALOX15MAPK1HSD17B10
SCHEMBL21786447 0.90 GYS1 (0.39) SLC6A4TP53ALOX15MAPK1HSD17B10
SCHEMBL21786418 0.88 MRGPRX4 (0.43) SLC6A4TP53ALOX15MAPK1HSD17B10
SCHEMBL21786408 0.87 HPGD (0.45) TP53ALOX15MAPK1HSD17B10GYS1
SCHEMBL21786588 0.86 MRGPRX4 (0.39) SLC6A4TP53ALOX15MAPK1HSD17B10
SCHEMBL21786629 0.86 MRGPRX4 (0.41) SLC6A4TP53ALOX15MAPK1HSD17B10
SCHEMBL22791321 0.86 GYS1 (0.38) SLC6A4TP53ALOX15MAPK1HSD17B10
SCHEMBL23913081 0.85 GYS1 (0.41) TP53ALOX15MAPK1HSD17B10GYS1
SCHEMBL21786615 0.85 TP53 (0.37) SLC6A4TP53ALOX15MAPK1HSD17B10

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 4129/4885TP53 5/4885ALOX15 4648/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 SLC6A4 4129/4885TP53 5/4885ALOX15 4648/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 SLC6A4 4129/4885TP53 5/4885ALOX15 4648/4885

“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.