SCHEMBL901287

SCHEMBL901287

COC(Cc1ccccc1)C(NC(C)=O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.49
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPM1B O75688 2/20 0.46
LMNA P02545 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL3482668 0.84 TRPM8 (0.55) CTRB1CTSSCTSKCA12CA1
SCHEMBL15671356 0.83 TRPM8 (0.50) MEN1MAPTKMT2AL3MBTL1
SCHEMBL994351 0.82 ACACB (0.42) CTRB1MEN1KMT2ASCN9A
SCHEMBL1697370 0.81 CTRB1 (0.53) CTRB1MEN1POLBMAPTAPEX1
SCHEMBL3459188 0.80 POLB (0.52) CTRB1MEN1POLBKMT2AL3MBTL1
SCHEMBL3459035 0.80 CTSS (0.45) CTRB1MEN1POLBMAPTAPEX1
SCHEMBL8578236 0.79 EPHX1 (0.50) MEN1POLBKMT2AL3MBTL1
SCHEMBL15929820 0.78 CTRB1 (0.50) CTRB1MEN1POLBMAPTAPEX1
SCHEMBL1534727 0.77 GPR34 (0.50) SCN9A
SCHEMBL1695172 0.77 SLC1A3 (0.49)

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969620-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-03-03 US claimed
EP-2627639-A1 N-OPTIONALLY SUBSTITUTED ARYL-2-OLIGOMER-3-ALKOXYPROPIONAMIDES Nektar Therapeutics (US) 2013-08-21 EP claimed
EP-2621893-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB Pharma GmbH (DE) 2013-08-07 EP claimed
US-20130190533-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB PHARMA GMBH (DE) 2013-07-25 US claimed
WO-2012051551-A1 N-OPTIONALLY SUBSTITUTED ARYL-2-OLIGOMER-3-ALKOXYPROPIONAMIDES NEKTAR THERAPEUTICS (US) 2012-04-19 WO claimed
WO-2012041986-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB PHARMA GMBH (DE) 2012-04-05 WO claimed
EP-2352721-A1 NOVEL PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB Pharma GmbH (DE) 2011-08-10 EP claimed
WO-2010052011-A1 NOVEL PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB PHARMA, S.A. (BE) 2010-05-14 WO claimed
CN-104058991-B Novel Process For The Preparation Of Amino Acid Derivatives 优时比制药有限公司 2017-04-12 CN disclosed
US-8969620-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-03-03 US disclosed
US-8969620-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-03-03 US disclosed
US-8946476-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-02-03 US disclosed
US-8946476-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-02-03 US disclosed
CN-104058991-A Novel Process For The Preparation Of Amino Acid Derivatives UCB PHARMA SA 2014-09-24 CN disclosed
US-20100099770-A1 METHOD FOR TREATING DIABETIC PERIPHERAL NEUROPATHIC PAIN SCHWARZ PHARMA AG (DE) 2010-04-22 US disclosed
US-20040220077-A1 Novel use of a peptide class of compound for treating allodynia or other different types of chronic or phantom pain UCB PHARMA GMBH (DE) 2004-11-04 US disclosed
EP-1383487-A1 NOVEL USE OF A PEPTIDE CLASS OF COMPOUND FOR TREATING ALLODYNIA OR OTHER DIFFERENT TYPES OF CHRONIC OR PHANTOM PAIN SCHWARZ PHARMA AG (DE) 2004-01-28 EP disclosed
EP-1243263-B1 Novel use of a peptide class of compound for treating allodynia or other different types of chronic or phantom pain SANOL ARZNEI SCHWARZ GMBH (DE) 2002-11-27 EP disclosed
WO-2002074297-A1 NOVEL USE OF A PEPTIDE CLASS OF COMPOUND FOR TREATING ALLODYNIA OR OTHER DIFFERENT TYPES OF CHRONIC OR PHANTOM PAIN SCHWARZ PHARMA AG (DE) 2002-09-26 WO disclosed
EP-1243263-A1 Novel use of a peptide class of compound for treating allodynia or other different types of chronic or phantom pain SCHWARZ PHARMA AG (DE) 2002-09-25 EP 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-20130190533-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES BCAT2, BCAT1, HNMT CTRB1 1269/4885MEN1 1539/4885POLB 2119/4885
US-20100099770-A1 METHOD FOR TREATING DIABETIC PERIPHERAL NEUROPATHIC PAIN PMP22, GAP43, OPRL1 CTRB1 4238/4885MEN1 4163/4885POLB 3609/4885
US-20040220077-A1 Novel use of a peptide class of compound for treating allodynia or other different types of chronic or phantom pain OPRL1, CALCA, CALCB CTRB1 3117/4885MEN1 1723/4885POLB 4291/4885

“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.