SCHEMBL16808292

SCHEMBL16808292

CCN1CCN(C(=O)N[C@@H](C)c2ccccc2)C(=O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ FBP1 P09467 1/20 0.46
▸ IDH1 O75874 1/20 0.45

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
SCHEMBL10265114 1.00 ALDH1A1 (0.48) ALDH1A1NPC1CASP3KMT2AMEN1
SCHEMBL12318187 0.88 MAPT (0.40) ALDH1A1NPC1CASP3MAPTIDH1
SCHEMBL10264244 0.88 MAPT (0.40) ALDH1A1NPC1CASP3MAPTIDH1
SCHEMBL10205157 0.87 KMT2A (0.49) ALDH1A1NPC1KMT2AMAPTIDH1
SCHEMBL24457797 0.87 POLB (0.40) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL8597022 0.86 ATM (0.42) KMT2AMEN1MAPT
SCHEMBL7828421 0.86 ATM (0.42) KMT2AMEN1MAPT
Water SCHEMBL8600954 0.85 ATM (0.42) KMT2AMEN1MAPT
SCHEMBL8600205 0.84 POLB (0.40) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL10372875 0.84 GPR88 (0.39) ALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9677112-B2 β-lactamase substrates and methods of their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-06-13 — — US disclosed
US-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-18 — — 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 (1 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-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS PGLS, ENGASE, BPHL ALDH1A1 774/4885NPC1 2899/4885CASP3 2799/4885

“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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