SCHEMBL5567950

SCHEMBL5567950

CN(C)C(=O)C=Cc1nc(CO)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.38
▸ HDAC1 Q13547 6/20 0.36
▸ HDAC6 Q9UBN7 6/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ MAP3K7 O43318 1/20 0.32
▸ TAB1 Q15750 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCNC P24863 1/20 0.32

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
SCHEMBL5133301 0.80 HSD17B1 (0.40) NLRP3HDAC1HDAC6HDAC3HDAC4
SCHEMBL24149773 0.80 TGFBR1 (0.39) NLRP3NR4A2PKMMEN1KMT2A
SCHEMBL13301095 0.75 NLRP3 (0.38) NLRP3HDAC1HDAC6HDAC3HDAC4
SCHEMBL19718385 0.71 — —
SCHEMBL17716402 0.69 SCN9A (0.36) PKMMEN1KMT2AGAAMAPT
SCHEMBL3952505 0.68 JAK2 (0.47) NLRP3NCOR2NR4A2KMT2ACCNC
SCHEMBL24149497 0.68 JAK2 (0.47) NLRP3NCOR2NR4A2KMT2ACCNC
SCHEMBL5567954 0.67 POLB (0.42) MEN1KMT2AGAAMAPTNPC1
SCHEMBL15348924 0.66 HDAC1 (0.41) NLRP3HDAC1HDAC6HDAC3HDAC4
SCHEMBL19718383 0.65 NLRP3 (0.33) NLRP3HDAC1HDAC6

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-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 — — US disclosed
US-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 — — 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-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders TSLP, JAK1, SERPINB1 NLRP3 446/4885HDAC1 865/4885HDAC6 906/4885

“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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