Sugi Predict

Sugi Predict / Compounds / SCHEMBL23623626

SCHEMBL23623626

SCHEMBL23623626

O=C(NCc1n[nH]c(-c2cc(F)ccc2O)n1)c1ccccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HCRTR1 O43613 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL23623307 0.93 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL23611718 0.90 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL23623267 0.89 TP53 (0.42) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL23623256 0.87 OPRM1 (0.39) LMNAMAPTTP53THRBL3MBTL1
SCHEMBL23611751 0.86 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL23611755 0.83 ALOX15 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL29930729 0.83 ALOX15 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31461669 0.83 HDAC3 (0.46) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL23611738 0.83 ALOX15 (0.44) ALDH1A1LMNAMAPTTP53THRB
SCHEMBL31461657 0.83 HDAC3 (0.39) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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 SMN1; SMN2 2366/4885NPC1 1821/4885RAB9A 1812/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 SMN1; SMN2 2366/4885NPC1 1821/4885RAB9A 1812/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 SMN1; SMN2 2366/4885NPC1 1821/4885RAB9A 1812/4885

“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.