SCHEMBL17740144

SCHEMBL17740144

CC(=O)c1ccc(OC(C)(C)C)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
CFTR P13569 1/20 0.37
ABL1 P00519 2/20 0.37
MAOB P27338 5/20 0.36
ACACB O00763 1/20 0.35
ELANE P08246 1/20 0.35
KIF11 P52732 1/20 0.35
NOS2 P35228 1/20 0.35
MAOA P21397 3/20 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
SCHEMBL20035000 0.84 CYP3A4 (0.38) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL312677 0.80 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL29976235 0.80 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL18177030 0.80 MAPT (0.51) ALDH1A1HPGDMAPK1KDM4EGAA
Hydrochloric Acid SCHEMBL354001 0.79 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPK1KDM4E
Hydrochloric Acid SCHEMBL30735974 0.79 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL16856324 0.79 ALDH1A1 (0.58) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL18823988 0.76 KDM4E (0.57) ALDH1A1CYP3A4KDM4EMAPTMAOB
SCHEMBL28685254 0.75 NR4A1 (0.56) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL20214924 0.75 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4MAPK1KDM4E

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053449-A1 DC-SIGN ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20220162308-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF NOVARTIS AG (CH) 2022-05-26 US disclosed
US-20210346387-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST NOVARTIS AG (CH) 2021-11-11 US disclosed
US-20210228731-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2021-07-29 US disclosed
US-10973826-B2 Antibody conjugates comprising toll-like receptor agonist NOVARTIS AG (CH) 2021-04-13 US disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
US-20200164084-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST AND COMBINATION THERAPIES NOVARTIS AG (CH) 2020-05-28 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-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20170121421-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20170121421-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
WO-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 WO disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 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 (15 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 ALDH1A1 3311/4885HPGD 3718/4885CYP3A4 4571/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM ALDH1A1 1376/4885HPGD 3765/4885CYP3A4 3789/4885
US-20170121421-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST TLR3, TLR2, TLR9 ALDH1A1 3021/4885HPGD 3267/4885CYP3A4 4599/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP ALDH1A1 3311/4885HPGD 3718/4885CYP3A4 4571/4885
US-20230053449-A1 DC-SIGN ANTIBODY DRUG CONJUGATES DCUN1D4, CD14, DCUN1D3 ALDH1A1 2550/4885HPGD 3990/4885CYP3A4 3717/4885
US-20210228731-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS BCR, ABL1, CD47 ALDH1A1 167/4885HPGD 3832/4885CYP3A4 1926/4885
US-20210346387-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST TLR3, TLR2, TLR9 ALDH1A1 3021/4885HPGD 3267/4885CYP3A4 4599/4885
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT ALDH1A1 3212/4885HPGD 3861/4885CYP3A4 4698/4885
US-10973826-B2 Antibody conjugates comprising toll-like receptor agonist TLR3, TLR2, TLR9 ALDH1A1 3021/4885HPGD 3267/4885CYP3A4 4599/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP ALDH1A1 3311/4885HPGD 3718/4885CYP3A4 4571/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB ALDH1A1 1924/4885HPGD 4087/4885CYP3A4 4160/4885
US-20220162308-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF ITGB8, ITGA8, CD4 ALDH1A1 1567/4885HPGD 3490/4885CYP3A4 1338/4885
US-20200164084-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST AND COMBINATION THERAPIES TLR3, TLR2, TLR9 ALDH1A1 2626/4885HPGD 3705/4885CYP3A4 4718/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885HPGD 4633/4885CYP3A4 2585/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 ALDH1A1 3229/4885HPGD 3441/4885CYP3A4 4658/4885

“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.