Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786530

SCHEMBL21786530

SCHEMBL21786530

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2cccc(C(F)(F)F)c2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTPN1 P18031 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ SLC6A4 P31645 3/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ DYRK2 Q92630 2/20 0.37
▸ DYRK1B Q9Y463 2/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 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
SCHEMBL21786589 0.92 STIM1 (0.37) L3MBTL1PTPN1PTPN6PTPN2SLC6A4
SCHEMBL21786411 0.91 KCNT1 (0.36) MAPK1FFAR1KMT2ASTIM1ORAI1
SCHEMBL21786416 0.90 SLC6A4 (0.41) PTPN1PTPN6PTPN2SLC6A4NPSR1
SCHEMBL21786497 0.89 PTGER1 (0.39) PTPN1SLC6A4MEN1KMT2ANPSR1
SCHEMBL23913085 0.88 MRGPRX4 (0.40) SLC6A4MRGPRX4LRRK2
SCHEMBL21786593 0.88 MRGPRX4 (0.40) SLC6A4MEN1KMT2ANPSR1STIM1
SCHEMBL21786460 0.88 PTGER1 (0.42) STIM1ORAI1MRGPRX4
SCHEMBL21786450 0.87 CYP11B1 (0.39) MEN1LMNAHTTKMT2ANPSR1
SCHEMBL21786611 0.86 SLC6A4 (0.39) L3MBTL1SLC6A4NPSR1STIM1ORAI1
SCHEMBL21786465 0.86 SLC6A4 (0.39) SLC6A4NPSR1STIM1ORAI1MRGPRX4

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 MAPT 3689/4885MAPK1 1239/4885L3MBTL1 1325/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MAPT 3689/4885MAPK1 1239/4885L3MBTL1 1325/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MAPT 3689/4885MAPK1 1239/4885L3MBTL1 1325/4885

“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.