Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786489

SCHEMBL21786489

SCHEMBL21786489

CCCCOc1ccc(-c2cc(C(F)(F)F)n(C)n2)c(O)c1-c1cncc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 1/20 0.35
▸ PPARD Q03181 6/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ DYRK3 O43781 2/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ DYRK2 Q92630 2/20 0.33
▸ DYRK1B Q9Y463 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CXCR1 P25024 1/20 0.32
▸ PKM P14618 1/20 0.31

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
SCHEMBL22791006 0.96 PPARD (0.33) AGERPPARDPPARAPTGDR2TNF
SCHEMBL21786507 0.91 AGER (0.36) AGERPPARDPPARAPTGDR2DYRK3
SCHEMBL22791329 0.89 MGAM (0.33) TNFDYRK3CCNT1CCNA2CDK2
SCHEMBL24127463 0.89 AGER (0.32) AGERPPARDPPARAPKM
SCHEMBL21786434 0.89 USP7 (0.37) PPARD
SCHEMBL23913034 0.86 PTGDR2 (0.30) PTGDR2
SCHEMBL21786486 0.85 USP7 (0.36) —
SCHEMBL21786552 0.85 DRD2 (0.37) CYP11B1CYP11B2
SCHEMBL21786493 0.84 PTGER1 (0.39) —
SCHEMBL22791224 0.84 PPARD (0.34) AGERPPARDPPARAPTGDR2TNF

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 AGER 3983/4885PPARD 1970/4885PPARA 2700/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 AGER 3983/4885PPARD 1970/4885PPARA 2700/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 AGER 3983/4885PPARD 1970/4885PPARA 2700/4885

“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.