SCHEMBL856139

SCHEMBL856139

O=C(O)[C@@H](S)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
KIF11 P52732 3/20 0.40
CYP2D6 P10635 2/20 0.39
CPA3 P15088 1/20 0.39
FOLH1 Q04609 1/20 0.39
SRC P12931 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
MME P08473 1/20 0.38
KCNN4 O15554 1/20 0.38

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
SCHEMBL342180 1.00 CYP1A2 (0.41) CYP1A2KIF11CYP2D6CPA3FOLH1
SCHEMBL335641 0.84 KIF11 (0.52) CYP1A2KIF11KMT2A
SCHEMBL27713868 0.79 LMNA (0.44) CYP1A2KIF11CYP2D6SRCMAPT
SCHEMBL9373145 0.78 MAPT (0.45) CYP1A2KIF11CYP2D6MAPTKMT2A
SCHEMBL1235122 0.78 KMT2A (0.48) CYP1A2KIF11CYP2D6SRCMAPT
SCHEMBL6505750 0.74 CYP1A2 (0.39) CYP1A2KIF11CYP2D6CPA3FOLH1
SCHEMBL4579475 0.73 CYP1A2 (0.48) CYP1A2KIF11CYP2D6SRCMAPT
SCHEMBL29351710 0.73 KIF11 (0.48) CYP1A2KIF11CYP2D6MAPTKMT2A
SCHEMBL34784 0.72 FOLH1 (0.48) CYP1A2KIF11CPA3FOLH1
SCHEMBL3785507 0.72 FOLH1 (0.48) CYP1A2KIF11CPA3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556933-B2 Polypeptide libraries with a predetermined scaffold AFFIBODY AB (SE) 2020-02-11 US disclosed
US-20170008936-A1 Polypeptide Libraries With A Predetermined Scaffold AFFIBODY AB (SE) 2017-01-12 US disclosed
US-9469670-B2 Polypeptide libraries with a predetermined scaffold AFFIBODY AB (SE) 2016-10-18 US disclosed
EP-1996609-B1 METHOD OF PREPARING GLYCOPEPTIDES SCRIPPS RESEARCH INST (US) 2016-08-03 EP disclosed
US-8883120-B2 Polypeptides having affinity for HER2 AFFIBODY AB (SE) 2014-11-11 US disclosed
US-8816050-B2 Method of preparing glycopeptides THE SCRIPPS RESEARCH INSTITUTE 2014-08-26 US disclosed
US-20130280164-A1 POLYPEPTIDES HAVING AFFINITY FOR HER2 AFFIBODY AB (SE) 2013-10-24 US disclosed
EP-2235044-B1 NEW POLYPEPTIDES HAVING AFFINITY FOR HER2 AFFIBODY AB (SE) 2013-10-09 EP disclosed
US-8501909-B2 Polypeptides having affinity for HER2 AFFIBODY AB (SE) 2013-08-06 US disclosed
EP-1924275-B1 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2012-08-08 EP disclosed
US-20030153736-A1 Labelled ascorbic acid derivatives GE HEALTHCARE LIMITED (GB) 2003-08-14 US disclosed
EP-1239886-A2 LABELLED ASCORBIC ACID DERIVATIVES GE Healthcare Limited (GB) 2002-09-18 EP disclosed
WO-2002062819-A2 BACKBONE CYCLIZED RADIOLABELLED SOMATOSTATIN ANALOGS PEPTOR LTD. (IL) 2002-08-15 WO disclosed
US-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
US-6342201-B1 COMPLEXES WHICH ENRICH ARTERIOSCLEROTIC PLAQUE AND ARE PREFERENTIALLY SUITED FOR NON-INVASIVE DIAGNOSIS OF ARTERIOSCLEROSIS INSTITUT FOR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT (DE) 2002-01-29 US disclosed
WO-2001047564-A2 LABELLED ASCORBIC ACID DERIVATIVES AMERSHAM PLC (GB) 2001-07-05 WO disclosed
EP-0777498-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996002274-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed
US-4999424-A Antigout and antitumor agents THE PENNSYLVANIA STATE UNIVERSITY (US) 1991-03-12 US disclosed
WO-1990005137-A1 GAR TRANSFORMYLASE INHIBITOR THE PENNSYLVANIA RESEARCH CORPORATION (US) 1990-05-17 WO 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-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION DCLRE1B, RNASE1, DCLRE1A CYP1A2 4573/4885KIF11 1428/4885CYP2D6 3912/4885
US-20030153736-A1 Labelled ascorbic acid derivatives CYP27B1, CYP24A1, XDH CYP1A2 789/4885KIF11 3724/4885CYP2D6 790/4885
US-20130280164-A1 POLYPEPTIDES HAVING AFFINITY FOR HER2 IGF2BP1, IGF2BP2, ERBB2 CYP1A2 4782/4885KIF11 1733/4885CYP2D6 4610/4885

“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.