SCHEMBL17246764

SCHEMBL17246764

NCCCC[C@H](NC(=O)O[C@@H](CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.64
RIMKLA Q8IXN7 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
SLC6A5 Q9Y345 1/20 0.42
GNPAT O15228 1/20 0.42
CPB2 Q96IY4 4/20 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
SCHEMBL19611476 0.94 FOLH1 (0.64) FOLH1RIMKLANAALAD2
SCHEMBL19611479 0.94 FOLH1 (0.64) FOLH1RIMKLANAALAD2
SCHEMBL19611478 0.94 FOLH1 (0.64) FOLH1RIMKLANAALAD2
Trifluoroacetic Acid SCHEMBL19611495 0.88 FOLH1 (0.57) FOLH1RIMKLANAALAD2
Trifluoroacetic Acid SCHEMBL19611496 0.88 FOLH1 (0.57) FOLH1RIMKLANAALAD2
SCHEMBL21162263 0.86 FOLH1 (0.66) FOLH1RIMKLANAALAD2SLC6A5
SCHEMBL19633812 0.80 FOLH1 (0.66) FOLH1RIMKLANAALAD2
SCHEMBL27611756 0.79 FOLH1 (0.54) FOLH1SLC6A5CPB2
SCHEMBL15739333 0.79 FOLH1 (1.00) FOLH1RIMKLANAALAD2
SCHEMBL2450650 0.79 FOLH1 (1.00) FOLH1RIMKLANAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078166-B2 Triazole conjugated ureas, thioureas, carbamates, and reversed carbamates for PSMA-targeted imaging agents and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-08-03 US disclosed
US-20190225589-A1 TRIAZOLE CONJUGATED UREAS, THIOUREAS, CARBAMATES, AND REVERSED CARBAMATES FOR PSMA-TARGETED IMAGING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2019-07-25 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20170081298-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2017-03-23 US disclosed
WO-2015171792-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2015-11-12 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 (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-20170081298-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY PSMA6, PSMA1, UTS2R FOLH1 32/4885RIMKLA 1680/4885NAALAD2 720/4885
US-11078166-B2 Triazole conjugated ureas, thioureas, carbamates, and reversed carbamates for PSMA-targeted imaging agents and uses thereof PAICS, FOLH1, UTS2R FOLH1 2/4885RIMKLA 1026/4885NAALAD2 213/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT FOLH1 94/4885RIMKLA 3213/4885NAALAD2 1066/4885
US-20190225589-A1 TRIAZOLE CONJUGATED UREAS, THIOUREAS, CARBAMATES, AND REVERSED CARBAMATES FOR PSMA-TARGETED IMAGING AGENTS AND USES THEREOF PAICS, FOLH1, UTS2R FOLH1 2/4885RIMKLA 1026/4885NAALAD2 213/4885

“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.