SCHEMBL2115849

SCHEMBL2115849

CN(C(=O)CCSCCC(=O)NCc1ccco1)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.72
ALDH1A1 P00352 8/20 0.72
L3MBTL1 Q9Y468 4/20 0.72
POLB P06746 3/20 0.72
HSD17B10 Q99714 3/20 0.72
MAPT P10636 2/20 0.72
KDM4E B2RXH2 1/20 0.72
PTPN7 P35236 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL2115850 0.85 HPGD (1.00) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL4886815 0.77 HPGD (0.78) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL4891081 0.74 HPGD (0.72) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL2926521 0.72 ALDH1A1 (0.69) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL19726938 0.72 HPGD (0.73) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL21630176 0.71 HPGD (0.71) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL5116644 0.71 HPGD (0.71) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL29410065 0.70 ALDH1A1 (0.74) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL11479230 0.70 HPGD (0.69) HPGDALDH1A1L3MBTL1POLBHSD17B10
SCHEMBL6360360 0.69 ALDH1A1 (0.68) HPGDALDH1A1L3MBTL1POLBHSD17B10

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
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US claimed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM HPGD 547/4885ALDH1A1 210/4885L3MBTL1 1464/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM HPGD 547/4885ALDH1A1 210/4885L3MBTL1 1464/4885

“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.