SCHEMBL23623443

SCHEMBL23623443

CCOc1ccccc1-c1nc(CNC(=O)c2ccccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HCRTR1 O43613 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
F2R P25116 1/20 0.40
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCN1 O60741 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL23623280 0.90 ALOX15 (0.47) HPGDMAPTHSD17B10KCNK3KCNK9
SCHEMBL23623437 0.86 HPGD (0.45) HPGDMAPTTSHRHSD17B10HCRTR1
SCHEMBL31461708 0.86 OPRM1 (0.41) HPGDF2RKCNK3KCNK9OPRM1
SCHEMBL31461680 0.85 ALOX15 (0.42) HSD17B10F2RKCNK3KCNK9OPRM1
SCHEMBL31461685 0.83 SMN1; SMN2 (0.41) HPGDMAPTMEN1KMT2AKCNK3
SCHEMBL23611716 0.82 KCNK3 (0.45) HPGDMAPTHSD17B10F2RKCNK3
SCHEMBL29930594 0.82 KCNK3 (0.45) HPGDMAPTHSD17B10F2RKCNK3
SCHEMBL23623493 0.82 ALOX15 (0.44) HPGDMAPTHSD17B10POLBKDM4E
SCHEMBL23623264 0.82 ALOX15 (0.44) MAPTHSD17B10KCNK3KCNK9ALDH1A1
SCHEMBL23623256 0.82 OPRM1 (0.39) MAPTF2RKCNK3KCNK9OPRM1

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 1216/4885MAPT 1520/4885TSHR 4538/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HPGD 1216/4885MAPT 1520/4885TSHR 4538/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HPGD 1216/4885MAPT 1520/4885TSHR 4538/4885

“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.