SCHEMBL3963130

SCHEMBL3963130

O=C(O)[C@H](CSCc1ccccc1)NCCN[C@@H](CSCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.58
PPARA Q07869 6/20 0.58
PPARG P37231 4/20 0.58
PPARD Q03181 2/20 0.52

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
SCHEMBL3963125 1.00 ACE (0.58) ACEPPARAPPARGPPARD
Hydrochloric Acid SCHEMBL18260619 0.98 ACE (0.57) ACEPPARAPPARGPPARD
SCHEMBL2240346 0.89 ACE (0.57) ACEPPARAPPARGPPARD
SCHEMBL14405000 0.87 ACE (0.59) ACEPPARAPPARGPPARD
SCHEMBL5217215 0.83 ACE (0.62) ACEPPARAPPARGPPARD
SCHEMBL8997921 0.83 ACE (0.62) ACEPPARAPPARGPPARD
SCHEMBL5610149 0.83 ACE (0.58) ACEPPARAPPARGPPARD
SCHEMBL8997911 0.83 ACE (0.62) ACEPPARAPPARGPPARD
SCHEMBL11347298 0.81 PPARA (0.61) ACEPPARAPPARG
SCHEMBL14383383 0.81 ACE (0.59) ACEPPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925977-B2 Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications Ceil>Point, LLC (US) 2021-02-23 US disclosed
US-10814013-B2 Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-27 US disclosed
EP-2079486-B1 EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS UNIV TEXAS (US) 2018-04-04 EP disclosed
EP-3102588-A1 A KIT FOR PREPARING A RADIOPHARMACEUTICAL The South African Nuclear Energy Corporation Limited (ZA) 2016-12-14 EP disclosed
US-20160346412-A1 A KIT FOR PREPARING A RADIOPHARMACEUTICAL THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2016-12-01 US disclosed
WO-2015118498-A1 A KIT FOR PREPARING A RADIOPHARMACEUTICAL THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2015-08-13 WO disclosed
US-20130039853-A1 EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS CELL>POINT, LLC 2013-02-14 US disclosed
EP-2079486-A2 EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS The Board of Regents of The University of Texas System (US) 2009-07-22 EP disclosed
US-20080107598-A1 Efficient Synthesis of Chelators for Nuclear Imaging and Radiotherapy: Compositions and Applications COLIP, GREGORY RUSSELL 2008-05-08 US disclosed
WO-2008045604-A2 EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-04-17 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 (5 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-20080107598-A1 Efficient Synthesis of Chelators for Nuclear Imaging and Radiotherapy: Compositions and Applications TNNI3, CAD, TNNT2 ACE 4011/4885PPARA 1561/4885PPARG 1150/4885
US-10814013-B2 Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications TNNI3, CAD, TNNT2 ACE 4011/4885PPARA 1561/4885PPARG 1150/4885
US-10925977-B2 Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications TNNI3, CAD, TNNT2 ACE 4011/4885PPARA 1561/4885PPARG 1150/4885
US-20130039853-A1 EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS TNNI3, CAD, TNNT2 ACE 4011/4885PPARA 1561/4885PPARG 1150/4885
US-20160346412-A1 A KIT FOR PREPARING A RADIOPHARMACEUTICAL KIT, PROKR1, ACKR3 ACE 3028/4885PPARA 4024/4885PPARG 3541/4885

“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.