SCHEMBL88460

SCHEMBL88460

CN(C(=O)OC(C)(C)C)C(C(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KCNN4 O15554 1/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 2/20 0.34
KIF11 P52732 1/20 0.34
PAX8 Q06710 1/20 0.34
CTSL P07711 1/20 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
SCHEMBL58396 1.00 MMP13 (0.40) MMP13CYP2C19HIF1AKDM4EPOLB
SCHEMBL5981030 1.00 MMP13 (0.40) MMP13CYP2C19HIF1AKDM4EPOLB
SCHEMBL5979942 0.90 KMT2A (0.41) MMP13CYP2C19HIF1AKDM4EPOLB
SCHEMBL20732299 0.88 ESR1 (0.36) MMP13KMT2AMEN1RAB9ANPSR1
SCHEMBL22069882 0.88 ESR1 (0.36) MMP13KMT2AMEN1RAB9ANPSR1
SCHEMBL21086705 0.87 MMP13 (0.38) MMP13CYP2C19HIF1AKDM4EPOLB
SCHEMBL20723962 0.87 AAK1 (0.35) MMP13KMT2AMEN1RAB9ANPSR1
SCHEMBL16176598 0.87 AAK1 (0.40) MMP13CYP2C19CYP2D6KMT2AMEN1
SCHEMBL88675 0.87 MMP13 (0.40) MMP13CYP2C19HIF1AKMT2AMEN1
SCHEMBL16176596 0.87 AAK1 (0.40) MMP13CYP2C19CYP2D6KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539682-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS Wyeth Holdings Corporation (US) 2005-06-15 EP claimed
WO-2004026814-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO claimed
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION 2004-04-01 US claimed
CN-118084733-B Preparation method of key intermediate for synthesizing tubulin inhibitor 重庆皓元生物制药有限公司 2026-05-12 CN disclosed
US-12152083-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS BC INC. 2024-11-26 US disclosed
CN-118084733-A Preparation method of key intermediate for synthesizing tubulin inhibitor 重庆皓元生物制药有限公司 2024-05-28 CN disclosed
US-20230317700-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-10-05 US disclosed
US-11591405-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS BC INC. 2023-02-28 US disclosed
EP-4029873-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME Zymeworks Inc. (CA) 2022-07-20 EP disclosed
EP-3194421-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2021-11-03 EP disclosed
CN-113416229-A Cytotoxic and antimitotic compounds, and methods of use thereof 酵活有限公司 2021-09-21 CN disclosed
WO-2016041082-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CDRD Ventures, Inc. (CA) 2016-03-24 WO 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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-7078572-B2 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION (US) 2006-07-18 US disclosed
US-20050288486-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION (US) 2005-12-29 US disclosed
US-6951955-B2 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION (US) 2005-10-04 US disclosed
EP-1539682-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS Wyeth Holdings Corporation (US) 2005-06-15 EP disclosed
WO-2004026814-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION 2004-04-01 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 (6 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-20160075735-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 MMP13 3545/4885CYP2C19 4458/4885HIF1A 4754/4885
US-11591405-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 MMP13 3545/4885CYP2C19 4458/4885HIF1A 4754/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS MMP13 4582/4885CYP2C19 381/4885HIF1A 366/4885
US-12152083-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 MMP13 3545/4885CYP2C19 4458/4885HIF1A 4754/4885
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors TUBB1, TUBA1C, TUBB MMP13 4387/4885CYP2C19 2431/4885HIF1A 3496/4885
US-20050288486-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors TUBB1, TUBB, TUBA1C MMP13 4587/4885CYP2C19 1855/4885HIF1A 3783/4885

“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.