SCHEMBL58344

SCHEMBL58344

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.67
STAT6 P42226 2/20 0.33
MMP3 P08254 5/20 0.33
MMP1 P03956 4/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
ADAM17 P78536 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 6/20 0.32
POLB P06746 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
SCHEMBL14591405 1.00 TUBB1 (0.67) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL58750 1.00 TUBB1 (0.67) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL14568137 1.00 TUBB1 (0.67) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL5980725 1.00 TUBB1 (0.67) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL13682076 1.00 TUBB1 (0.67) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL57979 1.00 TUBB1 (0.67) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL14186137 1.00 TUBB1 (0.67) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL57410 1.00 TUBB1 (0.67) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL6799344 0.97 TUBB1 (0.64) TUBB1STAT6MMP3MMP1MMP9
SCHEMBL6805948 0.95 TUBB1 (0.65) TUBB1STAT6MMP3CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US claimed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO claimed
US-20220218840-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO LIGACHEM BIOSCIENCES INC. (KR) 2022-07-14 US disclosed
US-11173214-B2 Antibody-drug conjugates comprising branched linkers and methods related thereto LEGOCHEM BIOSCIENCES, INC. (KR) 2021-11-16 US disclosed
US-11167040-B2 Conjugates comprising peptide groups and methods related thereto LEGOCHEM BIOSCIENCES, INC. (KR) 2021-11-09 US disclosed
US-20200297865-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LIGACHEM BIOSCIENCES INC. (KR) 2020-09-24 US disclosed
US-20190151465-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO LIGACHEM BIOSCIENCES INC. (KR) 2019-05-23 US disclosed
WO-2017089895-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 WO disclosed
WO-2017089894-A1 CONJUGATES COMPRISING PEPTIDE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 WO disclosed
WO-2017089890-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 WO disclosed
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 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
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US 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
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
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 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 (9 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-20190151465-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO PA2G4, FCGRT, CLTB TUBB1 158/4885STAT6 4251/4885MMP3 4288/4885
US-11167040-B2 Conjugates comprising peptide groups and methods related thereto DAO, LPO, TYRO3 TUBB1 727/4885STAT6 3649/4885MMP3 4352/4885
US-11173214-B2 Antibody-drug conjugates comprising branched linkers and methods related thereto PA2G4, FCGRT, CLTB TUBB1 158/4885STAT6 4251/4885MMP3 4288/4885
US-20200297865-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LPO, NOXO1, DAO TUBB1 317/4885STAT6 4655/4885MMP3 3839/4885
US-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TUBB1 199/4885STAT6 2002/4885MMP3 136/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885STAT6 4739/4885MMP3 4096/4885
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors TUBB1, TUBA1C, TUBB TUBB1 1/4885STAT6 4840/4885MMP3 3929/4885
US-20220218840-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO PA2G4, FCGRT, CLTB TUBB1 158/4885STAT6 4251/4885MMP3 4288/4885
US-20050288486-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors TUBB1, TUBB, TUBA1C TUBB1 1/4885STAT6 4450/4885MMP3 4369/4885

“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.