SCHEMBL14682796

SCHEMBL14682796

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CN=[N+]=[N-])C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.45
▸ ATM Q13315 2/20 0.45
▸ MAPT P10636 6/20 0.44
▸ NPSR1 Q6W5P4 9/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ POLB P06746 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.41
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CAPN1 P07384 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PAX8 Q06710 1/20 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
SCHEMBL15625939 0.91 ALDH1A1 (0.46) TDP1KMT2AMEN1KLK7KLK5
SCHEMBL14674508 0.91 ALDH1A1 (0.46) TDP1KMT2AMEN1KLK7KLK5
SCHEMBL18161564 0.86 TDP1 (0.39) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL15510867 0.86 TDP1 (0.39) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL15510866 0.86 TDP1 (0.39) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL30030056 0.85 TDP1 (0.47) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL15498130 0.84 FOLH1 (0.52) —
SCHEMBL22342625 0.84 FOLH1 (0.52) —
SCHEMBL15498944 0.84 CAPN1 (0.44) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL30100913 0.83 TDP1 (0.50) TDP1ATMMAPTNPSR1KMT2A

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-8921571-B2 Pyrrolysine analogs THE OHIO STATE UNIVERSITY (US) 2014-12-30 — — US disclosed
US-20130035478-A1 PYRROLYSINE ANALOGS THE OHIO STATE UNIVERSITY (US) 2013-02-07 — — 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-20130035478-A1 PYRROLYSINE ANALOGS UROD, ALDH18A1, HMBS TDP1 117/4885ATM 2830/4885MAPT 4102/4885

“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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