SCHEMBL23623486

SCHEMBL23623486

O=C(NCc1cc(-c2ccsc2Cl)[nH]n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 1/20 0.41
HSD17B13 Q7Z5P4 3/20 0.40
ANO1 Q5XXA6 1/20 0.40
OPRM1 P35372 1/20 0.39
KCNK3 O14649 3/20 0.39
KCNK9 Q9NPC2 3/20 0.39
CSNK1E P49674 2/20 0.38
RORC P51449 4/20 0.38
PNLIP P16233 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
F2R P25116 1/20 0.38
CSNK1G3 Q9Y6M4 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL23623645 0.89 HCN1 (0.43) HCN1HSD17B13ANO1OPRM1KCNK3
SCHEMBL23623344 0.84 OPRM1 (0.42) HCN1HSD17B13OPRM1KCNK3KCNK9
SCHEMBL31457366 0.83 KMT2A (0.47) HCN1HSD17B13OPRM1KCNK3KCNK9
SCHEMBL26601319 0.83 OPRM1 (0.41) HCN1HSD17B13OPRM1KCNK3KCNK9
SCHEMBL23623811 0.83 KCNK3 (0.50) HCN1KCNK3KCNK9F2R
SCHEMBL23623288 0.83 KMT2A (0.47) HCN1HSD17B13OPRM1KCNK3KCNK9
SCHEMBL23623349 0.83 HSD17B13 (0.41) HCN1HSD17B13OPRM1KCNK3KCNK9
SCHEMBL23623578 0.83 ANO1 (0.42) HCN1HSD17B13ANO1OPRM1KCNK3
SCHEMBL23623566 0.82 KCNK3 (0.47) HCN1OPRM1KCNK3KCNK9F2R
SCHEMBL31461673 0.82 EGFR (0.41) HCN1HSD17B13OPRM1KCNK3KCNK9

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 HCN1 4832/4885HSD17B13 840/4885ANO1 4781/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HCN1 4832/4885HSD17B13 840/4885ANO1 4781/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HCN1 4832/4885HSD17B13 840/4885ANO1 4781/4885

“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.