SCHEMBL23623281

SCHEMBL23623281

O=C(NCc1cc(-c2ccccc2O)n(C2CCCCO2)n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
BTK Q06187 2/20 0.43
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.38
EPHX2 P34913 3/20 0.36
SLC6A9 P48067 1/20 0.36
OPRM1 P35372 1/20 0.36
HCN1 O60741 1/20 0.36
APLNR P35414 1/20 0.36
ACKR3 P25106 1/20 0.36
POLQ O75417 1/20 0.35
GLS O94925 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2J2 P51589 1/20 0.34
SCN9A Q15858 2/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL30623719 1.00 EGFR (0.43) EGFRBTKCNR2CNR1EPHX2
SCHEMBL26601520 0.91 EGFR (0.46) EGFRBTKCNR2CNR1EPHX2
SCHEMBL23645175 0.91 EGFR (0.45) EGFRBTKCNR2CNR1SLC6A9
SCHEMBL31461707 0.90 EGFR (0.43) EGFRBTKCNR2CNR1EPHX2
SCHEMBL23623611 0.89 EGFR (0.41) EGFRBTKCNR2CNR1SLC6A9
SCHEMBL26601323 0.89 EGFR (0.42) EGFRBTKCNR2CNR1EPHX2
SCHEMBL23645143 0.88 EGFR (0.43) EGFRBTKCNR2CNR1SLC6A9
SCHEMBL31461701 0.88 EGFR (0.47) EGFRBTKCNR2CNR1EPHX2
SCHEMBL23623346 0.88 EGFR (0.42) EGFRBTKCNR2CNR1EPHX2
SCHEMBL31461689 0.88 EGFR (0.42) EGFRBTKCNR2CNR1SLC6A9

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-2023205219-A1 PROTEOLYSIS TARGETING CHIMERA (PROTAC) COMPOSITIONS USING UBIQUITIN CONJUGATING ENZYME LIGANDS BERG LLC (US) 2023-10-26 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 EGFR 2809/4885BTK 2701/4885CNR2 2854/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885CNR2 2854/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 EGFR 2809/4885BTK 2701/4885CNR2 2854/4885

“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.