SCHEMBL16804609

SCHEMBL16804609

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ OPRK1 P41145 1/20 0.34

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
SCHEMBL15932233 0.89 MAPT (0.39) POLBOPRM1HDAC1HDAC2MAPT
SCHEMBL24457797 0.86 POLB (0.40) POLBALDH1A1HDAC1HDAC2MAPT
SCHEMBL10205157 0.84 KMT2A (0.49) DPP4DPP8POLBALDH1A1HDAC1
SCHEMBL10265114 0.84 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ANPC1
SCHEMBL16808292 0.84 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ANPC1
SCHEMBL8597022 0.82 ATM (0.42) POLBMAPTKMT2ATSHR
SCHEMBL7828421 0.82 ATM (0.42) POLBMAPTKMT2ATSHR
Water SCHEMBL8600954 0.81 ATM (0.42) POLBMAPTKMT2ATSHR
SCHEMBL8626971 0.81 POLB (0.38) POLBALDH1A1HDAC1HDAC2MAPT
SCHEMBL8600205 0.81 POLB (0.40) POLBALDH1A1MAPTKMT2ANPC1

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 3 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-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 DPP4 910/4885DPP8 593/4885POLB 536/4885

“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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