Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786541

SCHEMBL21786541

SCHEMBL21786541

CCCCCCOc1ccc(-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 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PPARD Q03181 5/20 0.36
▸ LTB4R Q15722 2/20 0.36
▸ LTB4R2 Q9NPC1 2/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ESR1 P03372 2/20 0.35
▸ S1PR1 P21453 3/20 0.34
▸ PLA2G2D Q9UNK4 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ S1PR4 O95977 2/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ PTPN11 Q06124 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
SCHEMBL21786471 0.96 PTGDR2 (0.39) PTGDR2PPARDLTB4RLTB4R2ESR1
SCHEMBL21786538 0.93 IKBKB (0.34) PTGDR2PPARDLTB4RLTB4R2IKBKB
SCHEMBL21786617 0.91 LTB4R (0.36) PTGDR2PPARDLTB4RLTB4R2THRA
SCHEMBL21786483 0.86 ESR1 (0.34) LTB4RLTB4R2ESR1IKBKB
SCHEMBL23913055 0.85 IKBKB (0.32) LTB4RLTB4R2IKBKB
SCHEMBL21786610 0.82 MAPT (0.38) PTGDR2PPARD
SCHEMBL21786540 0.82 USP7 (0.37) PTGDR2THRATHRBIKBKB
SCHEMBL21786474 0.82 HTR2A (0.38) ESR1
SCHEMBL22791108 0.82 CYP11B1 (0.37) PTGDR2PPARD
SCHEMBL21786470 0.81 SCN8A (0.33) IKBKB

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 1970/4885LTB4R 4737/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGDR2 4007/4885PPARD 1970/4885LTB4R 4737/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGDR2 4007/4885PPARD 1970/4885LTB4R 4737/4885

“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.