SCHEMBL20928762

SCHEMBL20928762

C[C@@H](C(=O)N1CCOc2cc(C(=O)NO)ccc2C1)N1CC[S+]([O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.39
▸ HDAC6 Q9UBN7 12/20 0.38
▸ HDAC8 Q9BY41 5/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 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
SCHEMBL17960303 0.86 RIPK1 (0.40) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17986855 0.86 RIPK1 (0.40) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960301 0.85 RIPK1 (0.39) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960446 0.83 ALDH1A1 (0.49) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960345 0.78 HDAC6 (0.46) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960343 0.78 HDAC6 (0.46) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960645 0.78 HDAC6 (0.46) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960436 0.77 HDAC6 (0.48) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL23940165 0.76 TAS1R3 (0.44) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL20928130 0.76 RIPK1 (0.42) RIPK1HDAC6HDAC8HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-29 — — US disclosed
US-20190119229-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — 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-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RIPK1 3548/4885HDAC6 6/4885HDAC8 9/4885
US-20190119229-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RIPK1 3548/4885HDAC6 6/4885HDAC8 9/4885

“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.

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