SCHEMBL23623366

SCHEMBL23623366

O=C(NCc1n[nH]c(-c2cccs2)n1)c1ccccc1CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
ALDH1A1 P00352 3/20 0.42
GRK6 P43250 1/20 0.40
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PBK Q96KB5 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL23623370 0.83 SMPD3 (0.41) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL23623239 0.83 HPGD (0.41) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL24177586 0.82 KMT2A (0.46) HPGDALDH1A1KDM4ENPC1LMNA
SCHEMBL23623242 0.79 SMN1; SMN2 (0.41) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL23623303 0.79 HPGD (0.41) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL23623298 0.78 HPGD (0.40) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL29930610 0.76 HPGD (0.41) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL23611763 0.76 HPGD (0.41) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL23623266 0.75 HPGD (0.40) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL23623261 0.74 HPGD (0.41) HPGDALDH1A1GRK6ERCC1FEN1

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 HPGD 1216/4885ALDH1A1 1803/4885GRK6 764/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HPGD 1216/4885ALDH1A1 1803/4885GRK6 764/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HPGD 1216/4885ALDH1A1 1803/4885GRK6 764/4885

“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.