SCHEMBL5167596

SCHEMBL5167596

COc1ccc(CCCCC(=O)c2ccc(CCC(C)(N)CO)s2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
ALOX5 P09917 1/20 0.37
GLS O94925 1/20 0.37

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
SCHEMBL6768979 0.97 NAMPT (0.41) NAMPTLMNAKMT2ACA12CA1
SCHEMBL13165870 0.92 HPGD (0.41) NAMPTLMNAKMT2APOLBTDP1
SCHEMBL13165867 0.92 POLB (0.37) NAMPTLMNAPOLBTDP1HPGD
SCHEMBL5165382 0.90 TUBB4A (0.40) LMNAKMT2APOLBTDP1HPGD
SCHEMBL386437 0.88 S1PR4 (0.41) NAMPTLMNAKMT2ACA12CA1
SCHEMBL385974 0.87 S1PR1 (0.46) NAMPTLMNA
SCHEMBL5166232 0.87 HDAC4 (0.41) POLBTDP1HPGDALOX5
SCHEMBL5168391 0.86 POLB (0.40) LMNAPOLBTDP1HPGD
SCHEMBL5168050 0.85 HDAC1 (0.47)
SCHEMBL5169611 0.85 POLB (0.40) LMNAPOLBTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A NAMPT 4631/4885LMNA 3703/4885KMT2A 1760/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A NAMPT 4631/4885LMNA 3703/4885KMT2A 1760/4885

“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.