Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786538

SCHEMBL21786538

SCHEMBL21786538

CCCOc1ccc(-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 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ GCGR P47871 2/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ MGAM O43451 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ SI P14410 2/20 0.31
▸ MGAM2 Q2M2H8 2/20 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
SCHEMBL21786471 0.95 PTGDR2 (0.39) IKBKBPPARDPTGDR2LTB4RLTB4R2
SCHEMBL21786541 0.93 PTGDR2 (0.36) IKBKBPPARDPTGDR2LTB4RLTB4R2
SCHEMBL21786483 0.89 ESR1 (0.34) IKBKBLTB4RLTB4R2GPBAR1IDO1
SCHEMBL23913055 0.87 IKBKB (0.32) IKBKBLTB4RLTB4R2GPBAR1SCN8A
SCHEMBL21786610 0.85 MAPT (0.38) PPARDPTGDR2PPARAGAA
SCHEMBL22791108 0.84 CYP11B1 (0.37) PPARDPTGDR2PPARA
SCHEMBL21786474 0.84 HTR2A (0.38) —
SCHEMBL21786617 0.84 LTB4R (0.36) PPARDPTGDR2GCGRLTB4RLTB4R2
SCHEMBL21786470 0.83 SCN8A (0.33) IKBKBSCN8ASCN10A
SCHEMBL21786481 0.83 PTPN1 (0.40) GPBAR1

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 IKBKB 433/4885PPARD 1970/4885PTGDR2 4007/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 IKBKB 433/4885PPARD 1970/4885PTGDR2 4007/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 IKBKB 433/4885PPARD 1970/4885PTGDR2 4007/4885

“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.