Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786496

SCHEMBL21786496

SCHEMBL21786496

COc1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.45
▸ ALOX15 P16050 5/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ IKBKB O14920 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL21786521 0.84 ALOX15 (0.53) HPGDALOX15MAPK1HSD17B10TP53
SCHEMBL21786428 0.83 TP53 (0.40) HPGDALOX15MAPK1HSD17B10TP53
SCHEMBL21786588 0.81 MRGPRX4 (0.39) HPGDALOX15MAPK1HSD17B10TP53
SCHEMBL21786501 0.76 AKR1C3 (0.40) MAPK1TP53AKR1C3AKR1C2IDO1
SCHEMBL21786436 0.76 HPGD (0.38) HPGDALOX15MAPK1HSD17B10TP53
SCHEMBL21786545 0.74 HPGD (0.37) HPGDALOX15MAPK1HSD17B10TP53
SCHEMBL21786494 0.74 AKR1C3 (0.40) AKR1C3AKR1C2IDO1TDO2MAPT
SCHEMBL21786629 0.72 MRGPRX4 (0.41) ALOX15MAPK1HSD17B10TP53MAPT
SCHEMBL21786418 0.72 MRGPRX4 (0.43) HPGDALOX15MAPK1HSD17B10TP53
SCHEMBL21786408 0.72 HPGD (0.45) HPGDALOX15MAPK1HSD17B10TP53

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 4648/4885MAPK1 1239/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 HPGD 2582/4885ALOX15 4648/4885MAPK1 1239/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 HPGD 2582/4885ALOX15 4648/4885MAPK1 1239/4885

“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.