SCHEMBL2115850

SCHEMBL2115850

O=C(CCSCCC(=O)NCc1ccco1)NCc1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 1.00
ALDH1A1 P00352 8/20 1.00
POLB P06746 5/20 1.00
MAPT P10636 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
HSD17B10 Q99714 2/20 1.00
KDM4E B2RXH2 1/20 1.00
PTPN7 P35236 1/20 1.00
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL4886815 0.88 HPGD (0.78) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL2115849 0.85 HPGD (0.72) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL19726938 0.85 HPGD (0.73) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL4891081 0.84 HPGD (0.72) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL5116644 0.83 HPGD (0.71) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL21630176 0.83 HPGD (0.71) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL29410065 0.83 ALDH1A1 (0.74) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL11479230 0.82 HPGD (0.69) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL2926521 0.82 ALDH1A1 (0.69) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL28180601 0.81 HPGD (0.68) HPGDALDH1A1POLBMAPTL3MBTL1

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 3 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-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 210/4885POLB 819/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM HPGD 547/4885ALDH1A1 210/4885POLB 819/4885

“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.