SCHEMBL11913625

SCHEMBL11913625

CC(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.47
▸ NOD1 Q9Y239 3/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ FOLH1 Q04609 4/20 0.41
▸ GNPAT O15228 1/20 0.40
▸ SHMT1 P34896 1/20 0.39
▸ ECE1 P42892 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36

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
SCHEMBL25875020 1.00 C3AR1 (0.47) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL12222096 1.00 C3AR1 (0.47) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL25148126 0.88 SIRT5 (0.38) C3AR1NOD1CTDSP1FOLH1ECE1
SCHEMBL24804881 0.88 C3AR1 (0.49) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL29359380 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL16862613 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL6047671 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL28819908 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL16862522 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT
SCHEMBL16801786 0.87 C3AR1 (0.46) C3AR1NOD1CTDSP1FOLH1GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230317700-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-10-05 — — US disclosed
US-11752214-B2 Protein-antiviral compound conjugates REGENERON PHARMACEUTICALS, INC. (US) 2023-09-12 — — US disclosed
US-20230277682-A1 VERRUCARIN A DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2023-09-07 — — US disclosed
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 — — US disclosed
US-20200215199-A1 COMPOUNDS FOR TREATING CANCER BICYCLETX LIMITED (GB) 2020-07-09 — — US disclosed
US-10624968-B2 Compounds for treating cancer Bicyclerd Limited (GB) 2020-04-21 — — US disclosed
US-20180208667-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2018-07-26 — — US disclosed
WO-2018115204-A1 PEPTIDE LIGANDS FOR BINDING TO MT1-MMP BICYCLETX LIMITED (GB) 2018-06-28 — — WO disclosed
US-9879086-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. (CA) 2018-01-30 — — US disclosed
US-20170247408-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2017-08-31 — — US disclosed
US-9669106-B2 Conjugate of monomethyl auristatin F and trastuzumab and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2017-06-06 — — US disclosed
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-04-27 — — US disclosed
US-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 — — US disclosed
US-20170043031-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 — — US disclosed
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-02-02 — — US disclosed
US-20160075735-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2016-03-17 — — US disclosed
US-8580921-B2 Protein nanorings UNIVERSITY OF MINNESOTA (US) 2013-11-12 — — US disclosed
US-20130059359-A1 Protein Nanorings UNIVERSITY OF MINNESOTA (US) 2013-03-07 — — US disclosed
US-8236925-B1 Protein nanorings UNIVERSITY OF MINNESOTA (US) 2012-08-07 — — 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 (12 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-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 C3AR1 4306/4885NOD1 3558/4885CTDSP1 1714/4885
US-20160075735-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 C3AR1 3764/4885NOD1 4799/4885CTDSP1 225/4885
US-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 C3AR1 589/4885NOD1 4056/4885CTDSP1 3247/4885
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER AURKC, AURKA, EGFR C3AR1 288/4885NOD1 4539/4885CTDSP1 2959/4885
US-20170247408-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 C3AR1 3764/4885NOD1 4799/4885CTDSP1 225/4885
US-20230277682-A1 VERRUCARIN A DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF HAVCR2, VARS1, VIM C3AR1 30/4885NOD1 1961/4885CTDSP1 1056/4885
US-10624968-B2 Compounds for treating cancer TP53, VHL, MYC C3AR1 4007/4885NOD1 4629/4885CTDSP1 2841/4885
US-20170043031-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER IGF1R, IGFBP1, IGFBP5 C3AR1 351/4885NOD1 4495/4885CTDSP1 2824/4885
US-20200215199-A1 COMPOUNDS FOR TREATING CANCER TP53, VHL, MYC C3AR1 4007/4885NOD1 4629/4885CTDSP1 2841/4885
US-11752214-B2 Protein-antiviral compound conjugates BMX, SARS1, VSIG8 C3AR1 1360/4885NOD1 1448/4885CTDSP1 756/4885
US-20180208667-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 C3AR1 3764/4885NOD1 4799/4885CTDSP1 225/4885
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 C3AR1 4306/4885NOD1 3558/4885CTDSP1 1714/4885

“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.

Send feedback