SCHEMBL16645390

SCHEMBL16645390

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 16/20 0.62
▸ NAALAD2 Q9Y3Q0 3/20 0.62
▸ RIMKLA Q8IXN7 1/20 0.62

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
SCHEMBL16802279 0.88 FOLH1 (0.57) FOLH1
SCHEMBL31095116 0.87 FOLH1 (0.60) FOLH1NAALAD2RIMKLA
SCHEMBL16641921 0.86 FOLH1 (0.54) FOLH1NAALAD2RIMKLA
SCHEMBL28516521 0.86 FOLH1 (0.58) FOLH1
SCHEMBL16241003 0.86 FOLH1 (0.58) FOLH1
SCHEMBL25482404 0.84 NOD1 (0.51) FOLH1NAALAD2RIMKLA
SCHEMBL19391409 0.83 FOLH1 (0.68) FOLH1NAALAD2RIMKLA
SCHEMBL18145412 0.83 FOLH1 (0.61) FOLH1NAALAD2RIMKLA
SCHEMBL22712960 0.83 FOLH1 (0.61) FOLH1NAALAD2RIMKLA
SCHEMBL18145414 0.83 FOLH1 (0.61) FOLH1NAALAD2RIMKLA

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
US-20230159611-A1 SMALL MOLECULE ADAPTER REGULATED, TARGET SPECIFIC CHIMERIC ANTIGEN RECEPTOR BEARING T CELLS (SMART CARS) YALE UNIVERSITY 2023-05-25 — — US disclosed
EP-3222617-B1 PSMA-TARGETING COMPOUNDS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-07-06 — — EP 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-20230159611-A1 SMALL MOLECULE ADAPTER REGULATED, TARGET SPECIFIC CHIMERIC ANTIGEN RECEPTOR BEARING T CELLS (SMART CARS) CD47, CD4, CD2 FOLH1 148/4885NAALAD2 659/4885RIMKLA 2647/4885
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 FOLH1 1/4885NAALAD2 64/4885RIMKLA 778/4885

“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.

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