SCHEMBL17728758

SCHEMBL17728758

CC(C)(C)OC(=O)N1C(=O)C(C)(C)CC1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TRPA1 O75762 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ NR1D1 P20393 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ KLK7 P49862 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35

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
SCHEMBL17728760 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNATRPA1PPARG
SCHEMBL17739822 0.89 ALDH1A1 (0.44) ALDH1A1MAPTLMNATRPA1PPARG
SCHEMBL17728718 0.85 KLK7 (0.38) ALDH1A1MAPTKLK7KLK5
SCHEMBL17728719 0.85 KLK7 (0.38) ALDH1A1MAPTKLK7KLK5
SCHEMBL11993549 0.83 KLK7 (0.43) KLK7KLK5
SCHEMBL17728737 0.81 ALDH1A1 (0.46) ALDH1A1MAPTLMNATRPA1NR1D1
SCHEMBL17728738 0.81 ALDH1A1 (0.46) ALDH1A1MAPTLMNATRPA1NR1D1
SCHEMBL17169509 0.80 ALDH1A1 (0.46) ALDH1A1MAPTLMNATRPA1PPARG
SCHEMBL1150225 0.80 ALDH1A1 (0.52) ALDH1A1MAPTLMNATRPA1PPARG
SCHEMBL17739821 0.79 ALDH1A1 (0.44) ALDH1A1MAPTLMNATRPA1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218391-B1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2019-01-09 — — EP disclosed
US-10077287-B2 Tubulysin analogs and methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2018-09-18 — — US disclosed
EP-3218391-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE Bristol-Myers Squibb Company (US) 2017-09-20 — — EP disclosed
WO-2016077260-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
US-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2016-05-12 — — 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-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE CCNY, CDC45, TPX2 ALDH1A1 4730/4885MAPT 2748/4885LMNA 2126/4885
US-10077287-B2 Tubulysin analogs and methods of making and use CCNY, CDC45, TPX2 ALDH1A1 4730/4885MAPT 2748/4885LMNA 2126/4885

“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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