SCHEMBL25835003

SCHEMBL25835003

CC(C)C(=O)c1ccc(-c2nnc(S(C)(=O)=O)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BACE1 P56817 1/20 0.37
GSK3B P49841 1/20 0.36
TSSK1B Q9BXA7 1/20 0.36

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
SCHEMBL29333957 0.84 NPC1 (0.61) NOTUMRAB9ANPC1NR1H4HDAC6
SCHEMBL25835885 0.84 KDM4E (0.49) NOTUMRAB9ANPC1ALDH1A1LMNA
SCHEMBL25839797 0.82 NPC1 (0.46) RAB9ANPC1NR1H4POLBALDH1A1
SCHEMBL18389699 0.79 NOTUM (0.53) NOTUMRAB9ANPC1ALDH1A1KDM4E
SCHEMBL23782650 0.79 NPC1 (0.68) RAB9ANPC1NR1H4POLBALDH1A1
SCHEMBL23734594 0.79 NOTUM (0.52) NOTUMRAB9ANPC1POLBALDH1A1
SCHEMBL25834961 0.78 NPC1 (0.45) RAB9ANPC1NR1H4POLBALDH1A1
SCHEMBL23106434 0.78 NOTUM (0.42) NOTUMRAB9ANPC1NR1H4POLB
SCHEMBL9681661 0.77 NPC1 (0.55) NOTUMRAB9ANPC1POLBALDH1A1
SCHEMBL25856877 0.75 HDAC8 (0.46) RAB9ANPC1NR1H4POLBALDH1A1

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-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF Arrowhead Pharmaceuticals, Inc. 2023-08-24 US disclosed
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF Arrowhead Pharmaceuticals, Inc. 2023-08-24 US disclosed
US-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 2023-07-20 US disclosed
US-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 2023-07-20 US 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 (2 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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS CPT1B, MUSK, MYLK2 NOTUM 4375/4885RAB9A 1179/4885NPC1 561/4885
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF MUSK, MYLK2, TNNC1 NOTUM 4727/4885RAB9A 977/4885NPC1 3878/4885

“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.