Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786501

SCHEMBL21786501

SCHEMBL21786501

COc1ccc(-c2cc(C(F)(F)F)n(C)n2)c(O)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ FUBP1 Q96AE4 2/20 0.38
▸ MAPT P10636 6/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GRM8 O00222 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ GRM7 Q14831 1/20 0.35

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
SCHEMBL21786528 0.86 ALDH1A1 (0.38) FYNALDH1A1TDP1CYP1A2DYRK3
SCHEMBL21786616 0.86 THRB (0.39) AKR1C3MAPT
SCHEMBL21786507 0.86 AGER (0.36) IDO1TDO2ALDH1A1DYRK3CCNT1
SCHEMBL21786612 0.84 HSP90AA1 (0.36) AKR1C3MAPK1
SCHEMBL21786535 0.83 THRB (0.36) MAPTMAPK1
SCHEMBL21786590 0.82 NPSR1 (0.36) MAPTMAPK1HTR2AHTR2CALDH1A1
SCHEMBL22791360 0.82 MAPT (0.39) FUBP1MAPTTSHRMAPK1CASP1
SCHEMBL22825429 0.82 GPR55 (0.40) FYNHTR2CDYRK3CCNT1CCNA2
SCHEMBL21786609 0.81 CYP11B1 (0.35) MAPTHTR2AHTR2CTP53
SCHEMBL21786494 0.80 AKR1C3 (0.40) AKR1C3AKR1C2IDO1TDO2FYN

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 AKR1C3 3147/4885AKR1C2 2870/4885IDO1 3773/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 AKR1C3 3147/4885AKR1C2 2870/4885IDO1 3773/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 AKR1C3 3147/4885AKR1C2 2870/4885IDO1 3773/4885

“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.