Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786594

SCHEMBL21786594

SCHEMBL21786594

CCCc1c(OCc2ccc(Cl)cc2)ccc(-c2cc(C(F)(F)F)n[nH]2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 6/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GRM2 Q14416 5/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CCR5 P51681 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL21786597 0.92 MAPT (0.38) TP53POLBGAAMAPTMRGPRX4
SCHEMBL21786476 0.79 POLB (0.36) TP53POLBGAAMAPTMRGPRX4
SCHEMBL29271117 0.78 CCR5 (0.35) TP53POLBGAAMAPTMRGPRX4
SCHEMBL21786536 0.78 PTGER1 (0.41) MRGPRX4MEN1KMT2ASLC6A4
SCHEMBL29271075 0.78 NTRK1 (0.34) TP53POLBGAAMAPTMRGPRX4
SCHEMBL30912702 0.78 NTRK1 (0.34) TP53POLBGAAMAPTMRGPRX4
SCHEMBL21786482 0.78 TBXA2R (0.37) TP53MAPTMRGPRX4CCR5MEN1
SCHEMBL30912689 0.77 SLC6A4 (0.33) TP53POLBGAAMAPTMRGPRX4
SCHEMBL21786537 0.77 SLC6A4 (0.39) MRGPRX4NR1H2NR1H3SLC6A4
SCHEMBL29271073 0.77 SLC6A4 (0.33) TP53POLBGAAMAPTMRGPRX4

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 CYSLTR1 4489/4885CYSLTR2 4568/4885TP53 5/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CYSLTR1 4489/4885CYSLTR2 4568/4885TP53 5/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 CYSLTR1 4489/4885CYSLTR2 4568/4885TP53 5/4885

“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.