SCHEMBL23623239

SCHEMBL23623239

O=C(NCc1n[nH]c(-c2cccs2)n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
OPRM1 P35372 1/20 0.40
GRK6 P43250 1/20 0.40
HCN1 O60741 1/20 0.39
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CLK1 P49759 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F2R P25116 1/20 0.36
CSNK1E P49674 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
SCHEMBL23623370 0.89 SMPD3 (0.41) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL23623242 0.86 SMN1; SMN2 (0.41) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL23623366 0.83 HPGD (0.42) HPGDALDH1A1GRK6ERCC1FEN1
SCHEMBL31457366 0.82 KMT2A (0.47) HPGDOPRM1HCN1BRD4CREBBP
SCHEMBL23623288 0.82 KMT2A (0.47) HPGDOPRM1HCN1BRD4CREBBP
SCHEMBL31461708 0.81 OPRM1 (0.41) HPGDALDH1A1OPRM1HCN1BRD4
SCHEMBL23623280 0.81 ALOX15 (0.47) HPGDALDH1A1OPRM1CLK1NPC1
SCHEMBL23623443 0.80 HPGD (0.45) HPGDALDH1A1OPRM1HCN1KDM4E
SCHEMBL23623256 0.79 OPRM1 (0.39) OPRM1HCN1BRD4CREBBPCLK1
SCHEMBL23623303 0.78 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 1803/4885OPRM1 1751/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HPGD 1216/4885ALDH1A1 1803/4885OPRM1 1751/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HPGD 1216/4885ALDH1A1 1803/4885OPRM1 1751/4885

“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.