SCHEMBL10060138

SCHEMBL10060138

CCCN1CCN(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
SCHEMBL15499754 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455222-B1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-03-02 EP disclosed
US-20200330624-A1 IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING FIBROBLAST-ACTIVATION PROTEIN-ALPHA (FAP-ALPHA) THE JOHNS HOPKINS UNIVERSITY 2020-10-22 US disclosed
WO-2016196628-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2016-12-08 WO disclosed
US-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-12 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 (2 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-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 HSD17B10 2398/4885S1PR1 791/4885DRD2 3901/4885
US-20200330624-A1 IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING FIBROBLAST-ACTIVATION PROTEIN-ALPHA (FAP-ALPHA) FAP, FIBP, FGFR1 HSD17B10 4172/4885S1PR1 960/4885DRD2 4884/4885

“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.