SCHEMBL57636

SCHEMBL57636

COC(=O)[C@@H](N(C)C(=O)OC(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
KMT2A Q03164 3/20 0.38
KCNN4 O15554 1/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
CTSS P25774 3/20 0.34
CTSK P43235 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
PAX8 Q06710 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
KLK5 Q9Y337 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 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
SCHEMBL88675 1.00 MMP13 (0.40) MMP13KMT2AKCNN4ITGA4ITGB7
SCHEMBL7066900 0.88 SRD5A2 (0.38) MMP13KMT2AMEN1HDAC3HDAC1
SCHEMBL5981030 0.87 MMP13 (0.40) MMP13KMT2AKCNN4KIF11MEN1
SCHEMBL58396 0.87 MMP13 (0.40) MMP13KMT2AKCNN4KIF11MEN1
SCHEMBL88460 0.87 MMP13 (0.40) MMP13KMT2AKCNN4KIF11MEN1
SCHEMBL6805608 0.86 AAK1 (0.41) MMP13KMT2AMEN1RAB9ACYP2C19
SCHEMBL16176663 0.86 AAK1 (0.41) MMP13KMT2AMEN1RAB9ACYP2C19
SCHEMBL5979942 0.86 KMT2A (0.41) MMP13KMT2AKCNN4KIF11MEN1
SCHEMBL16176767 0.85 CHRNB2 (0.40) KMT2AKIF11
SCHEMBL16176766 0.85 CHRNB2 (0.40) KMT2AKIF11

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 45 patents — showing the first 20. 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-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-20240059732-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative Sumitomo Pharma Co., Ltd. (JP) 2024-02-22 US disclosed
EP-3666787-B1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE SUMITOMO PHARMA CO LTD (JP) 2024-02-21 EP disclosed
US-20230390354-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-12-07 US disclosed
CN-110143999-B Cytotoxic and antimitotic compounds and methods of use thereof 酵活英属哥伦比亚省公司 2023-12-05 CN disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-7528152-B2 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2009-05-05 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 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 (8 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-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS MMP13 4582/4885KMT2A 3692/4885KCNN4 4403/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 MMP13 1282/4885KMT2A 2112/4885KCNN4 2121/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS MMP13 4769/4885KMT2A 3297/4885KCNN4 3891/4885
US-12303544-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 MMP13 3545/4885KMT2A 1359/4885KCNN4 4393/4885
US-20230390354-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 MMP13 3545/4885KMT2A 1359/4885KCNN4 4393/4885
US-20240059732-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 MMP13 1282/4885KMT2A 2112/4885KCNN4 2121/4885
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells DHCR7, CYP46A1, NR1H2 MMP13 3327/4885KMT2A 3889/4885KCNN4 3231/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA MMP13 4283/4885KMT2A 496/4885KCNN4 2548/4885

“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.