Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786494

SCHEMBL21786494

SCHEMBL21786494

COc1ccc(-c2cc(C(F)(F)F)nn2C)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 0.37
▸ TDO2 P48775 1/20 0.37
▸ PTGS2 P35354 6/20 0.36
▸ PTGS1 P23219 4/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ FYN P06241 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 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
SCHEMBL22790743 0.89 FYN (0.38) AKR1C3AKR1C2IDO1TDO2PTGS2
SCHEMBL21786527 0.86 RAB9A (0.39) PTGS2PTGS1ALOX5HDAC3HDAC4
SCHEMBL21786614 0.86 PTGS2 (0.39) AKR1C3PTGS2PTGS1MAPT
SCHEMBL21786504 0.86 PTGDR2 (0.36) PTGS2PTGS1ALOX5HDAC3HDAC4
SCHEMBL21786605 0.84 PTGS2 (0.37) AKR1C3PTGS2PTGS1
SCHEMBL30381778 0.84 PTGDR2 (0.41) PTGS2PTGS1ALOX5HDAC3HDAC4
SCHEMBL21786534 0.83 PTGER1 (0.38) ALOX5KDM4EMAPTKMT2A
SCHEMBL21786589 0.82 STIM1 (0.37) PTGS2PTGS1HTR2AHTR2CALDH1A1
SCHEMBL22790912 0.82 HTR2A (0.39) PTGS2PTGS1HTR2AHTR2CHDAC3
SCHEMBL23913086 0.82 ABCB1 (0.38) HTR2CKDM4EDYRK3CCNT1CCNA2

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.