Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786471

SCHEMBL21786471

SCHEMBL21786471

CCCCOc1ccc(-c2cc(C(F)(F)F)n[nH]2)c(O)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PPARD Q03181 11/20 0.35
▸ PPARG P37231 5/20 0.35
▸ PPARA Q07869 5/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PSEN1 P49768 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ PTGS1 P23219 1/20 0.32

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
SCHEMBL21786541 0.96 PTGDR2 (0.36) PTGDR2PPARDIKBKBLTB4RLTB4R2
SCHEMBL21786538 0.95 IKBKB (0.34) PTGDR2PPARDPPARGPPARAIKBKB
SCHEMBL21786483 0.88 ESR1 (0.34) IKBKBLTB4RLTB4R2ESR1
SCHEMBL21786617 0.87 LTB4R (0.36) PTGDR2PPARDPPARGPPARALTB4R
SCHEMBL23913055 0.86 IKBKB (0.32) IKBKBLTB4RLTB4R2
SCHEMBL21786610 0.86 MAPT (0.38) PTGDR2PPARDPPARAMAPTCNR1
SCHEMBL21786431 0.84 NOTUM (0.40) PPARDPPARGPPARAALOX5
SCHEMBL22791108 0.84 CYP11B1 (0.37) PTGDR2PPARDPPARAMAPTCNR1
SCHEMBL21786474 0.84 HTR2A (0.38) ESR1
SCHEMBL21786472 0.84 MAPT (0.41) PTGDR2PPARDMAPTCNR1CNR2

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 PTGDR2 4007/4885PPARD 1970/4885PPARG 2010/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGDR2 4007/4885PPARD 1970/4885PPARG 2010/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGDR2 4007/4885PPARD 1970/4885PPARG 2010/4885

“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.