Sugi Predict

Sugi Predict / Compounds / SCHEMBL23623259

SCHEMBL23623259

SCHEMBL23623259

COc1ccc(F)cc1-c1nc(CNC(=O)c2cc(F)ccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SCN8A Q9UQD0 2/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ BTK Q06187 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ SLC9A1 P19634 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ GRK6 P43250 1/20 0.37
▸ HPGD P15428 1/20 0.36

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
SCHEMBL29930594 0.94 KCNK3 (0.45) TP53LMNAROCK2ROCK1MAPT
SCHEMBL23611716 0.94 KCNK3 (0.45) TP53LMNAROCK2ROCK1MAPT
SCHEMBL23623264 0.94 ALOX15 (0.44) TP53LMNASCN8ASCN10AROCK2
SCHEMBL23623333 0.92 GPR6 (0.39) TP53LMNASCN8ASCN10AROCK2
SCHEMBL23623602 0.91 NAMPT (0.40) TP53LMNAROCK2ROCK1MAPT
SCHEMBL23623492 0.88 LMNA (0.45) TP53LMNAROCK2ROCK1MAPT
SCHEMBL23611767 0.87 TP53 (0.42) TP53LMNAROCK2ROCK1PPARA
SCHEMBL23623280 0.85 ALOX15 (0.47) TP53ROCK2ROCK1MAPTKCNK3
SCHEMBL23623326 0.83 ALOX15 (0.41) ROCK2ROCK1MAPTKCNK3KCNK9
SCHEMBL23623256 0.83 OPRM1 (0.39) TP53LMNAROCK2ROCK1MAPT

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
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 — — WO disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 — — US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 — — US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 — — US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 — — 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 TP53 896/4885LMNA 3530/4885SCN8A 2538/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 TP53 896/4885LMNA 3530/4885SCN8A 2538/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 TP53 896/4885LMNA 3530/4885SCN8A 2538/4885

“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.