SCHEMBL16645317

SCHEMBL16645317

CCN1CCCN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 2/20 0.43
SIGMAR1 Q99720 1/20 0.41
CHRM1 P11229 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
S1PR1 P21453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12344760 0.93 HSD17B10 (0.52) HSD17B10MEN1KMT2AHSD11B1KDM4E
SCHEMBL126194 0.93 HSD17B10 (0.52) HSD17B10MEN1KMT2AHSD11B1KDM4E
SCHEMBL21547377 0.93 HSD17B10 (0.52) HSD17B10MEN1KMT2AHSD11B1KDM4E
SCHEMBL16645332 0.93 HSD17B10 (0.52) HSD17B10MEN1KMT2AHSD11B1KDM4E
SCHEMBL5517050 0.93 HSD17B10 (0.52) HSD17B10MEN1KMT2AHSD11B1KDM4E
SCHEMBL15468170 0.93 HSD17B10 (0.52) HSD17B10MEN1KMT2AHSD11B1KDM4E
SCHEMBL16645315 0.92 HSD17B10 (0.41) HSD17B10MEN1KMT2AHSD11B1SIGMAR1
SCHEMBL16837396 0.92 HSD17B10 (0.41) HSD17B10MEN1KMT2AHSD11B1SIGMAR1
Hydrochloric Acid SCHEMBL1375642 0.91 HSD17B10 (0.50) HSD17B10MEN1KMT2AHSD11B1KDM4E
Bromide SCHEMBL2542868 0.91 HSD17B10 (0.50) HSD17B10MEN1KMT2AHSD11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222617-B1 PSMA-TARGETING COMPOUNDS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-07-06 EP disclosed
US-20210393809-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PSMA-EXPRESSING CANCERS Universität Heidelbert (DE) 2021-12-23 US disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
EP-3222617-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF The Johns Hopkins University (US) 2017-09-27 EP disclosed
EP-2408755-B1 Urea-based peptide compounds useful for detecting inter alia prostate cancer UNIV JOHNS HOPKINS (US) 2017-05-03 EP disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 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-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 HSD17B10 2398/4885MEN1 190/4885KMT2A 2318/4885
US-20210393809-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PSMA-EXPRESSING CANCERS KLK3, PSMA3, FOLH1 HSD17B10 3146/4885MEN1 419/4885KMT2A 1493/4885

“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.