Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786597

SCHEMBL21786597

SCHEMBL21786597

CCc1c(OCc2ccc(Cl)cc2)ccc(-c2cc(C(F)(F)F)n[nH]2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ CCR5 P51681 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ TACR2 P21452 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ MPO P05164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL21786594 0.92 CYSLTR1 (0.42) MAPTTP53POLBGAAMRGPRX4
SCHEMBL21786476 0.80 POLB (0.36) MAPTTP53POLBGAAMRGPRX4
SCHEMBL29271117 0.80 CCR5 (0.35) MAPTTP53POLBGAAMRGPRX4
SCHEMBL29271075 0.79 NTRK1 (0.34) MAPTTP53POLBGAAMRGPRX4
SCHEMBL21786482 0.79 TBXA2R (0.37) MAPTTP53MRGPRX4CCR5KMT2A
SCHEMBL21786536 0.79 PTGER1 (0.41) MRGPRX4KMT2AMEN1SLC6A4ALDH1A1
SCHEMBL30912702 0.79 NTRK1 (0.34) MAPTTP53POLBGAAMRGPRX4
SCHEMBL21786537 0.79 SLC6A4 (0.39) MRGPRX4SLC6A4
SCHEMBL30912689 0.79 SLC6A4 (0.33) MAPTTP53POLBGAAMRGPRX4
SCHEMBL29271073 0.79 SLC6A4 (0.33) MAPTTP53POLBGAAMRGPRX4

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 MAPT 3689/4885TP53 5/4885POLB 2895/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MAPT 3689/4885TP53 5/4885POLB 2895/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MAPT 3689/4885TP53 5/4885POLB 2895/4885

“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.