SCHEMBL17973602

SCHEMBL17973602

CCC(C)(C)C(=O)N1CCOc2cc(C(=O)NO)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 9/20 0.61
▸ HDAC6 Q9UBN7 8/20 0.52
▸ HDAC8 Q9BY41 5/20 0.52
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39

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
SCHEMBL17960478 0.89 HDAC6 (0.66) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960224 0.88 RIPK1 (0.50) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960419 0.87 RIPK1 (0.56) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960326 0.83 HDAC6 (0.50) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960436 0.82 HDAC6 (0.48) RIPK1HDAC6HDAC8HDAC3HDAC1
SCHEMBL17960360 0.81 RIPK1 (0.57) RIPK1HDAC6HDAC8KCNQ2
SCHEMBL17960332 0.81 HDAC6 (0.49) RIPK1HDAC6HDAC8
SCHEMBL17960583 0.81 RIPK1 (0.49) RIPK1HDAC6HDAC8SMN1; SMN2
SCHEMBL21800530 0.80 RIPK1 (0.70) RIPK1
SCHEMBL17960681 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 — — 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-20160222028-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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