SCHEMBL16856563

SCHEMBL16856563

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nn[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.57
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.53
HPGD P15428 4/20 0.53
HTT P42858 4/20 0.53
NPSR1 Q6W5P4 4/20 0.53
TSHR P16473 3/20 0.53
PKM P14618 3/20 0.53
HSD17B10 Q99714 2/20 0.53
XBP1 P17861 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
AGTR1 P30556 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.50
MME P08473 3/20 0.49

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
SCHEMBL20204233 1.00 PIN1 (0.57) PIN1ALDH1A1LMNAHPGDHTT
SCHEMBL20415885 0.89 GRN (0.47) PIN1ALDH1A1LMNAHPGDHTT
SCHEMBL20415886 0.88 PIN1 (0.47) PIN1ALDH1A1LMNAHPGDHTT
SCHEMBL28562554 0.88 PIN1 (0.47) PIN1ALDH1A1LMNAHPGDHTT
SCHEMBL17018451 0.87 PPARA (0.54) PIN1ALDH1A1LMNAHPGDHTT
SCHEMBL29678076 0.84 MAPT (0.51) PIN1ALDH1A1LMNAHPGDHTT
SCHEMBL13884234 0.83 PIN1 (0.59) PIN1ATMMMEECE1AGTR2
SCHEMBL852503 0.82 PIN1 (0.67) PIN1MMEECE1AGTR2
SCHEMBL29677972 0.81 NAALAD2 (0.69) PIN1ALDH1A1LMNAHPGDHTT
SCHEMBL18762450 0.80 GRN (0.58) PIN1ALDH1A1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753578-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2020-12-23 EP disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 US disclosed
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 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 (4 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-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP PIN1 598/4885ALDH1A1 3311/4885LMNA 3801/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM PIN1 1956/4885ALDH1A1 1376/4885LMNA 2576/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP PIN1 598/4885ALDH1A1 3311/4885LMNA 3801/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP PIN1 598/4885ALDH1A1 3311/4885LMNA 3801/4885

“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.