SCHEMBL2291987

SCHEMBL2291987

C[C@@H](NC[C@@H](O)c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ADRB3 P13945 2/20 0.46
APAF1 O14727 1/20 0.46
ADAMTS4 O75173 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ANPEP P15144 1/20 0.42
ENPP3 O14638 3/20 0.42
ENPP1 P22413 3/20 0.42
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ENPP2 Q13822 2/20 0.41

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
SCHEMBL2294318 1.00 KMT2A (0.48) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2293830 1.00 KMT2A (0.48) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2293127 1.00 KMT2A (0.48) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2291984 1.00 KMT2A (0.48) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2293126 1.00 KMT2A (0.48) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2290190 0.93 KMT2A (0.50) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2295469 0.93 KMT2A (0.50) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2292441 0.93 KMT2A (0.50) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2292446 0.93 KMT2A (0.50) KMT2AMEN1ADRB3APAF1ADAMTS4
SCHEMBL2290192 0.93 KMT2A (0.50) KMT2AMEN1ADRB3APAF1ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 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 (3 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885ADRB3 1845/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885ADRB3 1845/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885ADRB3 1845/4885

“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.