SCHEMBL23623280

SCHEMBL23623280

COc1ccccc1-c1nc(CNC(=O)c2ccccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GAA P10253 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
CLK1 P49759 1/20 0.42
ALPL P05186 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.41

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 0.92 KCNK3 (0.45) ALOX15HSD17B10KCNK3KCNK9HPGD
SCHEMBL23623264 0.92 ALOX15 (0.44) ALOX15HSD17B10KCNK3KCNK9TP53
SCHEMBL23611716 0.92 KCNK3 (0.45) ALOX15HSD17B10KCNK3KCNK9HPGD
SCHEMBL23623285 0.91 ALOX15 (0.43) ALOX15HSD17B10KCNK3KCNK9POLB
SCHEMBL23623581 0.91 POLB (0.47) ALOX15HSD17B10KCNK3KCNK9HPGD
SCHEMBL23623443 0.90 HPGD (0.45) HSD17B10KCNK3KCNK9HPGDPOLB
SCHEMBL23623493 0.90 ALOX15 (0.44) ALOX15HSD17B10HPGDPOLBADORA2A
SCHEMBL31461708 0.88 OPRM1 (0.41) KCNK3KCNK9HPGDALDH1A1ADORA2A
SCHEMBL23623326 0.88 ALOX15 (0.41) ALOX15HSD17B10KCNK3KCNK9ALDH1A1
SCHEMBL23611712 0.87 KCNK3 (0.44) KCNK3KCNK9HPGDTP53GLA

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 ALOX15 3002/4885HSD17B10 828/4885KCNK3 2414/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALOX15 3002/4885HSD17B10 828/4885KCNK3 2414/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALOX15 3002/4885HSD17B10 828/4885KCNK3 2414/4885

“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.