SCHEMBL5041530

SCHEMBL5041530

CC(=O)c1ncc(N2CCCCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 3/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.40
DPP4 P27487 1/20 0.40
TP53 P04637 1/20 0.39
PSMD14 O00487 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36
PTGS2 P35354 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL20176420 0.84 ALDH1A1 (0.41) SMN1; SMN2POLBLMNATHRBALDH1A1
SCHEMBL15522283 0.83 SIRT2 (0.44) SMN1; SMN2POLBLMNATHRBALDH1A1
SCHEMBL14349555 0.76 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1DPP4PSMD14
SCHEMBL11982534 0.74 DPP4 (0.49) SMN1; SMN2POLBLMNAALDH1A1DPP4
SCHEMBL28120145 0.72 ALDH1A1 (0.59) SMN1; SMN2POLBLMNATHRBALDH1A1
SCHEMBL16002357 0.72 DPP4 (0.50) SMN1; SMN2POLBLMNAALDH1A1DPP4
SCHEMBL28120163 0.72 ALDH1A1 (0.59) SMN1; SMN2POLBLMNATHRBALDH1A1
SCHEMBL16663857 0.71 POLB (0.59) SMN1; SMN2POLBLMNAALDH1A1MAPT
SCHEMBL7826262 0.71 ALDH1A1 (0.49) SMN1; SMN2POLBLMNAALDH1A1PSMD14
SCHEMBL15522284 0.71 GAA (0.46) POLBLMNATHRBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605946-B1 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2008-05-28 EP disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
EP-1605946-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP 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
WO-2004087699-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-14 WO 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 SMN1; SMN2 4293/4885POLB 1349/4885LMNA 3454/4885

“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.