SCHEMBL17337793

SCHEMBL17337793

CN(CCN(C)C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.65
▸ CTSB P07858 3/20 0.65
▸ CTSS P25774 3/20 0.65
▸ CTSK P43235 3/20 0.65
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ OPRK1 P41145 1/20 0.56
▸ KDM1A O60341 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TACR1 P25103 2/20 0.55

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
SCHEMBL18803171 0.87 CTSL (0.58) CTSLCTSBCTSSCTSKMEN1
SCHEMBL29861739 0.86 CTSL (0.66) CTSLCTSBCTSSCTSKMEN1
SCHEMBL10799112 0.86 CTSL (0.72) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL12112871 0.84 CTSL (0.58) CTSLCTSBCTSSCTSKMEN1
SCHEMBL1709147 0.82 CTSL (0.67) CTSLCTSBCTSSCTSKMEN1
SCHEMBL629856 0.82 CTSL (0.67) CTSLCTSBCTSSCTSKMEN1
SCHEMBL7220623 0.82 CTSL (0.67) CTSLCTSBCTSSCTSKMEN1
SCHEMBL29860964 0.82 CTSL (0.61) CTSLCTSBCTSSCTSKMEN1
SCHEMBL12115236 0.81 CTSL (0.61) CTSLCTSBCTSSCTSKMEN1
SCHEMBL18844735 0.81 CTSL (0.59) CTSLCTSBCTSSCTSKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 — — EP disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 — — EP disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 — — US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 — — US disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 — — US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 — — US disclosed
EP-3154997-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF Novartis AG (CH) 2017-04-19 — — EP disclosed
WO-2015189791-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2015-12-17 — — WO 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 (3 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-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB CTSL 1189/4885CTSB 1016/4885CTSS 1929/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 CTSL 831/4885CTSB 562/4885CTSS 1673/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 CTSL 831/4885CTSB 562/4885CTSS 1673/4885

“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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