SCHEMBL16645399

SCHEMBL16645399

CP(=O)(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SLC6A9 P48067 1/20 0.36
S1PR1 P21453 1/20 0.35
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13992938 1.00 HSD17B10 (0.44) HSD17B10MAPTKDM4EALDH1A1POLB
SCHEMBL18537936 0.94 HSD17B10 (0.40) HSD17B10MAPTKDM4EALDH1A1POLB
SCHEMBL18537923 0.88 MAPT (0.38) HSD17B10MAPTKDM4EALDH1A1POLB
SCHEMBL14100025 0.86 HSD17B10 (0.45) HSD17B10MAPTKDM4EALDH1A1POLB
SCHEMBL31222574 0.85 MAPT (0.48) MAPTKDM4EALDH1A1POLBS1PR1
SCHEMBL6424182 0.83 HSD17B10 (0.47) HSD17B10MAPTKDM4EALDH1A1POLB
SCHEMBL5059158 0.83 HSD17B10 (0.47) HSD17B10MAPTKDM4EALDH1A1POLB
SCHEMBL27329590 0.83 HSD17B10 (0.47) HSD17B10MAPTKDM4EALDH1A1POLB
SCHEMBL3974583 0.83 HSD17B10 (0.47) HSD17B10MAPTKDM4EALDH1A1POLB
SCHEMBL7039511 0.83 HSD17B10 (0.47) HSD17B10MAPTKDM4EALDH1A1POLB

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
EP-3222617-B1 PSMA-TARGETING COMPOUNDS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-07-06 EP disclosed
WO-2020123975-A1 PSMA-TARGETED PAMAM DENDRIMERS FOR SPECIFIC DELIVERY OF IMAGING, CONTRAST AND THERAPEUTIC AGENTS THE JOHNS HOPKINS UNIVERSITY (US) 2020-06-18 WO disclosed
WO-2017197251-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-16 WO 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-20170050989-A1 Molecular Imaging Probes NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-02-23 US 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-20170050989-A1 Molecular Imaging Probes SLC10A1, CFTR, FIBP HSD17B10 803/4885MAPT 2140/4885KDM4E 4241/4885
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 HSD17B10 2398/4885MAPT 973/4885KDM4E 3474/4885

“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.