SCHEMBL4933314

SCHEMBL4933314

COc1ccc(-n2c(SCC(=O)Nc3nc4ccccc4s3)nc(O)cc2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.69
▸ USP2 O75604 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ POLB P06746 3/20 0.68
▸ MAPT P10636 8/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ RECQL P46063 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL29327090 0.73 USP2 (0.83) KMT2AUSP2MEN1POLBMAPT
SCHEMBL5798106 0.73 TDP1 (0.60) KMT2AUSP2MEN1POLBMAPT
SCHEMBL7944975 0.70 MEN1 (0.74) KMT2AUSP2MEN1POLBMAPT
SCHEMBL16562029 0.69 HPGD (0.78) KMT2AUSP2MEN1POLBMAPT
SCHEMBL4910026 0.69 NPC1 (1.00) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL6206186 0.68 RAB9A (0.72) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL21858370 0.68 NPC1 (1.00) KMT2AUSP2MEN1POLBMAPT
SCHEMBL11337093 0.68 RAB9A (0.64) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL11140770 0.68 ADORA1 (0.65) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL20952199 0.67 KMT2A (0.65) KMT2AUSP2MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034075-A1 Sphingosine kinase inhibitors THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2004-02-19 — — US claimed
US-20080280866-A1 Method of Treating or Sepsis HAUSER CARL J 2008-11-13 — — US disclosed
US-7220764-B2 Such as 5-(2,4-dihydroxy-benzylidene)-3-(4-methoxy-phenyl)-2-thioxo-thiazolidin-4 -one; for treating/preventing hyperproliferative disease, autoimmune disease, inflammatory disease, or allergy THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-05-22 — — US disclosed
US-7220764-B2 Such as 5-(2,4-dihydroxy-benzylidene)-3-(4-methoxy-phenyl)-2-thioxo-thiazolidin-4 -one; for treating/preventing hyperproliferative disease, autoimmune disease, inflammatory disease, or allergy THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-05-22 — — US disclosed
US-7220764-B2 Such as 5-(2,4-dihydroxy-benzylidene)-3-(4-methoxy-phenyl)-2-thioxo-thiazolidin-4 -one; for treating/preventing hyperproliferative disease, autoimmune disease, inflammatory disease, or allergy THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-05-22 — — 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-20040034075-A1 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR1 KMT2A 2067/4885USP2 2491/4885MEN1 2072/4885
US-20080280866-A1 Method of Treating or Sepsis SPHK1, SPHK2, S1PR2 KMT2A 4205/4885USP2 3144/4885MEN1 4323/4885

“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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