Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786545

SCHEMBL21786545

SCHEMBL21786545

CC(C)CCOc1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1-c1cncc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.37
▸ ALOX15 P16050 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MGAM O43451 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ SI P14410 2/20 0.33
▸ MGAM2 Q2M2H8 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ PTGES O14684 3/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL21786436 0.89 HPGD (0.38) HPGDALOX15TP53MAPK1HSD17B10
SCHEMBL22791329 0.81 MGAM (0.33) MGAMGAASIMGAM2IDO1
SCHEMBL21786544 0.81 HPGD (0.36) HPGDALOX15TP53MAPK1HSD17B10
SCHEMBL21786492 0.80 DYRK3 (0.32) MGAMGAASIMGAM2IDO1
SCHEMBL21786483 0.75 ESR1 (0.34) MGAMGAASIMGAM2IDO1
SCHEMBL21786496 0.74 HPGD (0.45) HPGDALOX15TP53MAPK1HSD17B10
SCHEMBL22791143 0.72 PRMT5 (0.38) MAPK1PARP10PARP11CYP11B1CYP11B2
SCHEMBL21786617 0.72 LTB4R (0.36) CYP11B1CYP11B2ESR1LTB4RLTB4R2
SCHEMBL18071654 0.72 ALPL (0.42) HPGDALOX15TP53MAPK1HSD17B10
SCHEMBL21786588 0.72 MRGPRX4 (0.39) HPGDALOX15TP53MAPK1HSD17B10

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 HPGD 2582/4885ALOX15 4648/4885TP53 5/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 HPGD 2582/4885ALOX15 4648/4885TP53 5/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 HPGD 2582/4885ALOX15 4648/4885TP53 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.