Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786476

SCHEMBL21786476

SCHEMBL21786476

CCOc1ncc(C(F)(F)F)cc1-c1c(OCc2ccc(Cl)cc2)ccc(-c2cc(C(F)(F)F)n[nH]2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ TACR2 P21452 1/20 0.33
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ LMNA P02545 3/20 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
SCHEMBL21786536 0.83 PTGER1 (0.41) KMT2AMEN1ALDH1A1NPSR1MRGPRX4
SCHEMBL21786597 0.80 MAPT (0.38) POLBGAAMAPTTP53KMT2A
SCHEMBL21786594 0.79 CYSLTR1 (0.42) POLBGAAMAPTTP53KMT2A
SCHEMBL21786482 0.78 TBXA2R (0.37) MAPTTP53KMT2AMEN1NPSR1
SCHEMBL22791110 0.76 TBXA2R (0.36) KMT2AMEN1NPSR1MRGPRX4SLC6A4
SCHEMBL21786475 0.76 TBXA2R (0.35) KMT2AMEN1ALDH1A1NPSR1MRGPRX4
SCHEMBL21786537 0.75 SLC6A4 (0.39) MRGPRX4SLC6A4PTGDR2TBXA2RPTGS2
SCHEMBL23913056 0.75 TBXA2R (0.35) POLBGAAMAPTKMT2AMEN1
SCHEMBL29271117 0.75 CCR5 (0.35) POLBGAAMAPTTP53KMT2A
SCHEMBL21786441 0.74 CYP19A1 (0.36) MRGPRX4CYP2C9TBXA2RPTPN1

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 POLB 2895/4885GAA 3217/4885MAPT 3689/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 POLB 2895/4885GAA 3217/4885MAPT 3689/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 POLB 2895/4885GAA 3217/4885MAPT 3689/4885

“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.