SCHEMBL25845136

SCHEMBL25845136

CC(C)(C#N)CC(C)(SC(=S)c1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
EPHX1 P07099 1/20 0.36
CTSL P07711 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL25845149 0.84 SMN1; SMN2 (0.33) POLBCTSSCTSKCTSLRAB9A
SCHEMBL18516613 0.80 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL21749922 0.79 HDAC3 (0.41) POLBEPHX1RAB9ANPC1ALDH1A1
SCHEMBL19569936 0.77 HDAC3 (0.39) POLBEPHX1RAB9ANPC1ALDH1A1
SCHEMBL237868 0.75 ALDH1A1 (0.36) POLBCTSSCTSKEPHX1CTSL
SCHEMBL16080091 0.74 ALDH1A1 (0.40) POLBRAB9ANPC1ALDH1A1MAPT
SCHEMBL15625919 0.74 SRC (0.34) POLBCTSSCTSKCTSLPRSS1
SCHEMBL29151598 0.73 RIPK1 (0.38) POLBEPHX1ALDH1A1MAPTMAPK1
SCHEMBL14865070 0.72 HDAC3 (0.35) POLBCTSSCTSKEPHX1CTSL
SCHEMBL466361 0.72 NR4A2 (0.37) POLBCTSSCTSKEPHX1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201118-A1 PRODRUG COPOLYMERS AND POLYMERIC MICELLES THEREOF FOR THE DELIVERY OF SHORT-CHAIN FATTY ACIDS, THE PROMOTION OF GUT HEALTH, AND THE TREATMENT OF IMMUNE AND/OR INFLAMMATORY CONDITIONS AND FOOD ALLERGY THE UNIVERSITY OF CHICAGO 2023-06-29 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 (1 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-20230201118-A1 PRODRUG COPOLYMERS AND POLYMERIC MICELLES THEREOF FOR THE DELIVERY OF SHORT-CHAIN FATTY ACIDS, THE PROMOTION OF GUT HEALTH, AND THE TREATMENT OF IMMUNE AND/OR INFLAMMATORY CONDITIONS AND FOOD ALLERGY SI, VIP, FAAH POLB 2776/4885CTSS 221/4885CTSK 884/4885

“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.