SCHEMBL15499754

SCHEMBL15499754

CCCN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
S1PR1 P21453 1/20 0.44
DRD2 P14416 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A9 P48067 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 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
SCHEMBL15499048 1.00 HSD17B10 (0.48) HSD17B10S1PR1DRD2SIGMAR1SLC6A9
SCHEMBL10060138 1.00 HSD17B10 (0.48) HSD17B10S1PR1DRD2SIGMAR1SLC6A9
SCHEMBL24177004 0.94 HSD17B10 (0.44) HSD17B10S1PR1DRD2SIGMAR1SLC6A9
SCHEMBL22434575 0.87 MEN1 (0.40) HSD17B10S1PR1DRD2SIGMAR1SLC6A9
SCHEMBL10060132 0.87 HSD17B10 (0.39) HSD17B10S1PR1DRD2SIGMAR1SLC6A9
SCHEMBL23105622 0.87 S1PR1 (0.49) HSD17B10S1PR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL23646017 0.85 HSD17B10 (0.62) HSD17B10S1PR1SLC6A9SMN1; SMN2CYP1A2
SCHEMBL8742080 0.85 HSD17B10 (0.62) HSD17B10S1PR1SLC6A9SMN1; SMN2CYP1A2
SCHEMBL5848033 0.85 S1PR1 (0.51) HSD17B10S1PR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL5548993 0.84 S1PR1 (0.54) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135529-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY THE JOHNS HOPKINS UNIVERSTY 2022-05-05 US disclosed
US-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE ASTELLAS PHARMA INC. (JP) 2022-04-07 US disclosed
US-20200290982-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY THE JOHNS HOPKINS UNIVERSTY 2020-09-17 US disclosed
WO-2020160222-A2 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-08-06 WO disclosed
WO-2020145227-A1 COMPLEX COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE アステラス製薬株式会社 2020-07-16 WO disclosed
WO-2020145228-A1 COMPLEX COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT アステラス製薬株式会社 2020-07-16 WO disclosed
WO-2019165200-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS FOR TARGETING PROSTATE CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-29 WO disclosed
WO-2019070236-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-04-11 WO disclosed
US-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF RF THERAPEUTICS INC. (CA) 2014-03-06 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 (4 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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE MUC1, CA14, CA13 HSD17B10 4056/4885S1PR1 2791/4885DRD2 2945/4885
US-20220135529-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY PSMA6, PSMA1, UTS2R HSD17B10 4846/4885S1PR1 2719/4885DRD2 4142/4885
US-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF ANTXR2, CALCOCO2, PAICS HSD17B10 4822/4885S1PR1 2319/4885DRD2 3995/4885
US-20200290982-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY PSMA6, PSMA1, UTS2R HSD17B10 4846/4885S1PR1 2719/4885DRD2 4142/4885

“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.