SCHEMBL23623255

SCHEMBL23623255

COc1cccc(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)n[nH]2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 3/20 0.49
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
HPGD P15428 6/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 2/20 0.42
F2R P25116 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HCN1 O60741 1/20 0.40
CLK1 P49759 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL23623294 0.93 KCNK3 (0.45) KCNK3KCNK9ROCK2ROCK1HPGD
SCHEMBL23623811 0.92 KCNK3 (0.50) KCNK3KCNK9ROCK2ROCK1HPGD
SCHEMBL23623254 0.87 KCNK3 (0.47) KCNK3KCNK9ROCK2ROCK1HPGD
SCHEMBL23623253 0.86 KCNK3 (0.42) KCNK3KCNK9ROCK2ROCK1HPGD
SCHEMBL23623235 0.86 HPGD (0.49) KCNK3KCNK9ROCK2ROCK1HPGD
SCHEMBL23623295 0.86 KCNK3 (0.48) KCNK3KCNK9ROCK2ROCK1HPGD
SCHEMBL23611752 0.86 CLK1 (0.48) KCNK3KCNK9ROCK2ROCK1HPGD
SCHEMBL23623344 0.85 OPRM1 (0.42) KCNK3KCNK9F2RHCN1BRD4
SCHEMBL23623839 0.85 POLB (0.47) KCNK3KCNK9ROCK2ROCK1HPGD
SCHEMBL31461705 0.85 RXFP1 (0.42) KCNK3KCNK9ROCK2ROCK1F2R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNK3 2414/4885KCNK9 2438/4885ROCK2 2732/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 KCNK3 2414/4885KCNK9 2438/4885ROCK2 2732/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 KCNK3 2414/4885KCNK9 2438/4885ROCK2 2732/4885

“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.