SCHEMBL12879880

SCHEMBL12879880

COC(=O)c1csc([C@H](O)C[C@@H](N)C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.39
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
TLR7 Q9NYK1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL19389074 1.00 ABCB1 (0.39) ABCB1MAOAACHEMAPTMEN1
Hydrochloric Acid SCHEMBL28631036 0.99 ABCB1 (0.38) ABCB1MAOAACHEMAPTMEN1
Hydrochloric Acid SCHEMBL28631038 0.99 ABCB1 (0.38) ABCB1MAOAACHEMAPTMEN1
SCHEMBL19740969 0.92 MAOA (0.38) ABCB1MAOAACHEMAPTMEN1
SCHEMBL10042788 0.87 RAB9A (0.52) ABCB1MAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL20529544 0.86 RAB9A (0.54) ABCB1MAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL20529546 0.86 RAB9A (0.54) ABCB1MAPTMEN1KMT2AALDH1A1
SCHEMBL14765446 0.86 ABCB1 (0.38) ABCB1MAOAACHEMAPTMEN1
SCHEMBL29437960 0.85 L3MBTL1 (0.38) ABCB1ACHEALDH1A1TLR7HDAC1
SCHEMBL29437959 0.85 L3MBTL1 (0.38) ABCB1ACHEALDH1A1TLR7HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872157-B1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO LTD (CN) 2020-01-22 EP disclosed
US-10399941-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-09-03 US disclosed
EP-3348280-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou Dac Biotech Co., Ltd (CN) 2018-07-18 EP disclosed
US-20180021448-A9 Conjugates of Cell Binding Molecules with Cytotoxic Agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2018-01-25 US disclosed
US-20170296663-A1 Conjugates of Cell Binding Molecules with Cytotoxic Agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2017-10-19 US disclosed
US-9771391-B2 Process for preparing tubulysins ENDOCYTE, INC. (US) 2017-09-26 US disclosed
US-9771391-B2 Process for preparing tubulysins ENDOCYTE, INC. (US) 2017-09-26 US disclosed
EP-3210627-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou Dac Biotech Co., Ltd (CN) 2017-08-30 EP disclosed
US-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD (CN) 2017-06-08 US disclosed
US-9505747-B2 Processes for preparing tubulysin derivatives and conjugates thereof ENDOCYTE, INC. (US) 2016-11-29 US disclosed
US-8889880-B2 Processes for preparing tubulysins ENDOCYTE, INC. (US) 2014-11-18 US disclosed
US-20140249315-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE, INC. 2014-09-04 US disclosed
US-20140249315-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE, INC. 2014-09-04 US disclosed
WO-2014134543-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE, INC. (US) 2014-09-04 WO disclosed
US-20140080175-A1 PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF ENDOCYTE, INC. (US) 2014-03-20 US disclosed
US-20140080175-A1 PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF ENDOCYTE, INC. (US) 2014-03-20 US disclosed
WO-2013149185-A1 PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF ENDOCYTE, INC. (US) 2013-10-03 WO disclosed
US-20130137139-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE, INC. (US) 2013-05-30 US disclosed
US-8394922-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, INC. (US) 2013-03-12 US disclosed
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-03 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-20140080175-A1 PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF TEKT1, PTMS, TEK ABCB1 2742/4885MAOA 2787/4885ACHE 4631/4885
US-10399941-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ABCB1 944/4885MAOA 4689/4885ACHE 4038/4885
US-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ABCB1 973/4885MAOA 4558/4885ACHE 4158/4885
US-20140249315-A1 PROCESSES FOR PREPARING TUBULYSINS LGMN, REN, MAN2B2 ABCB1 3964/4885MAOA 3642/4885ACHE 4388/4885
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 ABCB1 741/4885MAOA 4477/4885ACHE 4365/4885
US-20180021448-A9 Conjugates of Cell Binding Molecules with Cytotoxic Agents CD4, CD2, CD47 ABCB1 944/4885MAOA 4689/4885ACHE 4038/4885
US-20170296663-A1 Conjugates of Cell Binding Molecules with Cytotoxic Agents CD4, CD2, CD47 ABCB1 944/4885MAOA 4689/4885ACHE 4038/4885
US-20130137139-A1 PROCESSES FOR PREPARING TUBULYSINS NGLY1, LGMN, TEKT1 ABCB1 2967/4885MAOA 3686/4885ACHE 4647/4885

“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.