SCHEMBL1781525

SCHEMBL1781525

CCOC(=O)[C@@H](CS)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
MMP8 P22894 2/20 0.48
PPID Q08752 1/20 0.48
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NAMPT P43490 1/20 0.43
PIN1 Q13526 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL1780144 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MMP8PPIDEPHX2PPARG
SCHEMBL28186906 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MMP8PPIDEPHX2PPARG
Hydrochloric Acid SCHEMBL3366422 0.98 SMN1; SMN2 (0.48) SMN1; SMN2MMP8PPIDEPHX2PPARG
Hydrochloric Acid SCHEMBL7323482 0.98 SMN1; SMN2 (0.48) SMN1; SMN2MMP8PPIDEPHX2PPARG
SCHEMBL14776455 0.89 PDCD1 (0.48) MMP8MEN1KMT2APDCD1CD274
SCHEMBL14776768 0.88 MEN1 (0.49) SMN1; SMN2MMP8PPIDEPHX2PPARG
SCHEMBL10519227 0.88 PPID (0.43) SMN1; SMN2PPIDMEN1KMT2APDCD1
SCHEMBL1839763 0.88 ATM (0.55) MAPTMEN1KMT2AATM
SCHEMBL1526134 0.88 ATM (0.55) MAPTMEN1KMT2AATM
SCHEMBL7856109 0.88 ATM (0.55) MAPTMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3015488-B1 PRODUCTION METHOD FOR POLYAMINO ACID TAKEDA PHARMACEUTICALS CO (JP) 2024-03-06 EP disclosed
US-10336864-B2 Production method for poly(amino acid) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-02 US disclosed
US-20180044472-A1 PRODUCTION METHOD FOR POLY(AMINO ACID) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 US disclosed
US-9815938-B2 Production method for poly(amino acid) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-14 US disclosed
US-20160177032-A1 PRODUCTION METHOD FOR POLY(AMINO ACID) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-23 US disclosed
EP-3015488-A1 PRODUCTION METHOD FOR POLYAMINO ACID Takeda Pharmaceutical Company Limited (JP) 2016-05-04 EP disclosed
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20040019117-A1 Anti tubercular drug: compostions and methods PROTOPOPOVA MARINA NIKOLAEVNA (US) 2004-01-29 US disclosed
US-20030236225-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-12-25 US disclosed
WO-2003096989-A2 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-11-27 WO disclosed
EP-0724601-A4 S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORP (US) 1999-02-03 EP disclosed
US-5684137-A TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS NEORX CORPORATION (US) 1997-11-04 US disclosed
EP-0724601-A1 S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1996-08-07 EP disclosed
WO-1995005398-A1 S3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1995-02-23 WO disclosed
US-5252721-A S3 N chelating compounds NEORX CORPORATION (US) 1993-10-12 US disclosed
US-4827016-A TREATMENT OF SUNBURN MORGAN LEE R (US) 1989-05-02 US disclosed
EP-0300100-A1 Method and compounds for reducing dermal inflammations Morgan, Lee Roy (US) 1989-01-25 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 (6 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-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE SMN1; SMN2 665/4885MMP8 1150/4885PPID 2641/4885
US-20180044472-A1 PRODUCTION METHOD FOR POLY(AMINO ACID) PGA5, ENPEP, PARG SMN1; SMN2 4567/4885MMP8 4693/4885PPID 2096/4885
US-20030236225-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease TERT, C5, DERA SMN1; SMN2 1018/4885MMP8 889/4885PPID 1912/4885
US-10336864-B2 Production method for poly(amino acid) PGA5, ENPEP, PARG SMN1; SMN2 4567/4885MMP8 4693/4885PPID 2096/4885
US-20160177032-A1 PRODUCTION METHOD FOR POLY(AMINO ACID) PGA5, ENPEP, PARG SMN1; SMN2 4567/4885MMP8 4693/4885PPID 2096/4885
US-20040019117-A1 Anti tubercular drug: compostions and methods TYMS, TERT, TYMP SMN1; SMN2 2656/4885MMP8 1968/4885PPID 1620/4885

“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.