SCHEMBL16176547

SCHEMBL16176547

CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.52
▸ CTSL P07711 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31

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
SCHEMBL16176549 1.00 TUBB1 (0.52) TUBB1CTSLALDH1A1MEN1KMT2A
SCHEMBL19282602 1.00 TUBB1 (0.52) TUBB1CTSLALDH1A1MEN1KMT2A
SCHEMBL16176544 1.00 TUBB1 (0.52) TUBB1CTSLALDH1A1MEN1KMT2A
SCHEMBL20723988 1.00 TUBB1 (0.52) TUBB1CTSLALDH1A1MEN1KMT2A
SCHEMBL16176275 0.93 TUBB1 (0.53) TUBB1CTSLMEN1KMT2ACTSB
SCHEMBL20723975 0.93 TUBB1 (0.53) TUBB1CTSLMEN1KMT2ACTSB
SCHEMBL16176274 0.93 TUBB1 (0.53) TUBB1CTSLMEN1KMT2ACTSB
SCHEMBL16176277 0.93 TUBB1 (0.53) TUBB1CTSLMEN1KMT2ACTSB
SCHEMBL19282673 0.93 TUBB1 (0.53) TUBB1CTSLMEN1KMT2ACTSB
SCHEMBL16176313 0.92 TUBB1 (0.58) TUBB1ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12303544-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS BC INC. (CA) 2025-05-20 — — US disclosed
US-20230390354-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-12-07 — — US disclosed
US-11617777-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS BC INC. 2023-04-04 — — US disclosed
US-20190269785-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2019-09-05 — — US disclosed
EP-2968440-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-06-05 — — EP disclosed
US-10201614-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. 2019-02-12 — — US disclosed
US-9522876-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. 2016-12-20 — — US disclosed
US-20160038606-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2016-02-11 — — US disclosed
US-20140315954-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2014-10-23 — — 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 (7 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-11617777-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 TUBB1 106/4885CTSL 488/4885ALDH1A1 3393/4885
US-20140315954-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, CCNB2, CCNB3 TUBB1 236/4885CTSL 378/4885ALDH1A1 2218/4885
US-10201614-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, CCNB2 TUBB1 107/4885CTSL 513/4885ALDH1A1 3403/4885
US-20190269785-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 TUBB1 106/4885CTSL 488/4885ALDH1A1 3393/4885
US-12303544-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 TUBB1 106/4885CTSL 488/4885ALDH1A1 3393/4885
US-20230390354-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 TUBB1 106/4885CTSL 488/4885ALDH1A1 3393/4885
US-20160038606-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, CCNB2 TUBB1 107/4885CTSL 513/4885ALDH1A1 3403/4885

“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