SCHEMBL23623561

SCHEMBL23623561

COc1cc(F)ccc1-c1cc(CNC(=O)c2ccccc2OC(F)F)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
KCNH2 Q12809 2/20 0.44
HPGD P15428 3/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN2B Q13224 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KIT P10721 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
HTT P42858 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
SCHEMBL23623348 0.93 ALDH1A1 (0.46) TP53MAPTLMNATHRBALDH1A1
SCHEMBL23623812 0.92 HPGD (0.46) TP53MAPTLMNATHRBALDH1A1
SCHEMBL24177602 0.87 POLB (0.47) TP53MAPTLMNATHRBALDH1A1
SCHEMBL23623252 0.85 TSHR (0.43) MAPTPOLBKCNH2HPGDSMN1; SMN2
SCHEMBL23623546 0.84 SMN1; SMN2 (0.41) TP53MAPTLMNAALDH1A1POLB
SCHEMBL23623296 0.84 MEN1 (0.42) TP53MAPTLMNAALDH1A1POLB
SCHEMBL23623650 0.83 SMN1; SMN2 (0.43) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL31461719 0.82 HDAC3 (0.47) MAPTLMNAALDH1A1POLBHPGD
SCHEMBL23645066 0.80 ALDH1A1 (0.46) TP53MAPTLMNATHRBALDH1A1
SCHEMBL23623254 0.79 KCNK3 (0.47) TP53MAPTLMNATHRBALDH1A1

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 TP53 896/4885MAPT 1520/4885LMNA 3530/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 TP53 896/4885MAPT 1520/4885LMNA 3530/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 TP53 896/4885MAPT 1520/4885LMNA 3530/4885

“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.