Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786504

SCHEMBL21786504

SCHEMBL21786504

CCCCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PPARD Q03181 5/20 0.34
▸ GCG P01275 1/20 0.33
▸ AGER Q15109 1/20 0.33
▸ STIM1 Q13586 1/20 0.33
▸ ORAI1 Q96D31 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SCN9A Q15858 4/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 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
SCHEMBL22791224 0.91 PPARD (0.34) PTGDR2PPARDGCGAGERSTIM1
SCHEMBL21786426 0.87 PPARD (0.33) PTGDR2PPARDSTIM1ORAI1ESR1
SCHEMBL21786605 0.86 PTGS2 (0.37) PTGDR2PPARDPTGS1PTGS2
SCHEMBL21786494 0.86 AKR1C3 (0.40) ALOX5PTGS1PTGS2HDAC3HDAC4
SCHEMBL21786479 0.85 STIM1 (0.36) PTGDR2PPARDSTIM1ORAI1PTGS1
SCHEMBL30381778 0.85 PTGDR2 (0.41) PTGDR2STIM1ORAI1ALOX5PTGS1
SCHEMBL21786614 0.84 PTGS2 (0.39) PTGDR2PPARDPTGS1PTGS2
SCHEMBL21786534 0.84 PTGER1 (0.38) STIM1ORAI1ALOX5
SCHEMBL21786589 0.83 STIM1 (0.37) STIM1ORAI1PTGS1PTGS2SCN9A
SCHEMBL23913086 0.82 ABCB1 (0.38) —

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 1970/4885GCG 4378/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGDR2 4007/4885PPARD 1970/4885GCG 4378/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGDR2 4007/4885PPARD 1970/4885GCG 4378/4885

“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.