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Sugi Predict / Compounds / SCHEMBL21786431

SCHEMBL21786431

SCHEMBL21786431

CCCCOc1ccc(-c2cc(C(F)(F)F)n[nH]2)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 7/20 0.40
▸ GYS1 P13807 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ COMT P21964 1/20 0.34
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33

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
SCHEMBL21786499 0.91 NOTUM (0.40) NOTUMGYS1CYP1A2S1PR1
SCHEMBL21786437 0.90 NOTUM (0.38) NOTUMGYS1CYP1A2S1PR1
SCHEMBL21786471 0.84 PTGDR2 (0.39) PPARDALOX5PPARGPPARA
SCHEMBL21786510 0.81 S1PR1 (0.33) NOTUMGYS1CYP1A2S1PR1GCGR
SCHEMBL21786541 0.80 PTGDR2 (0.36) PPARDS1PR1
SCHEMBL21786538 0.79 IKBKB (0.34) PPARDPPARGPPARAGCGRPDE3B
SCHEMBL21786502 0.78 COMT (0.37) NOTUMPPARDPTGESALOX5PPARG
SCHEMBL22791119 0.78 USP7 (0.38) GYS1PPARDPPARGPPARACYP1A2
SCHEMBL21786617 0.77 LTB4R (0.36) PPARDPPARGPPARAS1PR1GCGR
SCHEMBL22791319 0.77 SLC6A4 (0.42) NOTUMGYS1CYP1A2S1PR1ALOX5AP

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 NOTUM 4428/4885GYS1 4422/4885PPARD 1970/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 NOTUM 4428/4885GYS1 4422/4885PPARD 1970/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 NOTUM 4428/4885GYS1 4422/4885PPARD 1970/4885

“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.