SCHEMBL16870158

SCHEMBL16870158

CC(C)[C@H](NC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.41
▸ POLB P06746 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ FURIN P09958 5/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ GLP1R P43220 8/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.33

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
SCHEMBL16862595 1.00 C3AR1 (0.41) C3AR1POLBCTDSP1FURINMGLL
SCHEMBL19303642 1.00 C3AR1 (0.41) C3AR1POLBCTDSP1FURINMGLL
SCHEMBL29459537 0.99 C3AR1 (0.42) C3AR1POLBCTDSP1FURINMGLL
SCHEMBL26081500 0.95 C3AR1 (0.40) C3AR1POLBCTDSP1FURINMGLL
SCHEMBL26081194 0.95 C3AR1 (0.40) C3AR1POLBCTDSP1FURINMGLL
SCHEMBL31294572 0.94 MGLL (0.36) C3AR1FURINMGLLFAPNOD1
SCHEMBL30781655 0.94 MGLL (0.36) C3AR1FURINMGLLFAPNOD1
SCHEMBL30781641 0.94 MGLL (0.36) C3AR1FURINMGLLFAPNOD1
SCHEMBL31045369 0.94 MGLL (0.36) C3AR1FURINMGLLFAPNOD1
SCHEMBL20263702 0.93 GLP1R (0.40) C3AR1POLBCTDSP1FURINFAP

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 16 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-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 — — US disclosed
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 — — US disclosed
US-11591405-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS BC INC. 2023-02-28 — — US disclosed
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates ZYMEWORKS INC. 2023-01-24 — — US disclosed
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 — — EP disclosed
EP-3194421-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2021-11-03 — — EP disclosed
US-20200207865-A2 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2020-07-02 — — US disclosed
US-20190345254-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-11-14 — — US disclosed
US-10450378-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. (CA) 2019-10-22 — — US disclosed
US-10414822-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. (CA) 2019-09-17 — — 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
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-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-02-02 — — US disclosed
WO-2015095953-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2015-07-02 — — 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 (10 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 4306/4885POLB 3762/4885CTDSP1 1714/4885
US-20190345254-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 C3AR1 3764/4885POLB 242/4885CTDSP1 225/4885
US-20170247408-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 C3AR1 3764/4885POLB 242/4885CTDSP1 225/4885
US-20200207865-A2 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 C3AR1 3764/4885POLB 242/4885CTDSP1 225/4885
US-11591405-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 C3AR1 3764/4885POLB 242/4885CTDSP1 225/4885
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates MPST, TPST2, SULT1A1 C3AR1 4306/4885POLB 3762/4885CTDSP1 1714/4885
US-10414822-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 C3AR1 3764/4885POLB 242/4885CTDSP1 225/4885
US-10450378-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 C3AR1 3764/4885POLB 242/4885CTDSP1 225/4885
US-20180208667-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 C3AR1 3764/4885POLB 242/4885CTDSP1 225/4885
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 C3AR1 4306/4885POLB 3762/4885CTDSP1 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.

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