SCHEMBL18055002

SCHEMBL18055002

CC(=O)O[C@H](C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1nc(C(=O)O)cs1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.49
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PTPRB P23467 9/20 0.35
BACE1 P56817 2/20 0.33
CTSD P07339 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL22542592 1.00 ABCB1 (0.49) ABCB1CA1CA2CA7CA4
SCHEMBL15433017 0.91 ABCB1 (0.53) ABCB1CA1CA2CA7CA4
SCHEMBL15236993 0.91 ABCB1 (0.53) ABCB1CA1CA2CA7CA4
SCHEMBL18928619 0.91 ABCB1 (0.53) ABCB1CA1CA2CA7CA4
SCHEMBL10041887 0.89 ABCB1 (0.64) ABCB1CA1CA2CA7CA4
SCHEMBL20800061 0.85 ABCB1 (0.50) ABCB1CA1CA2CA7CA4
SCHEMBL15947604 0.85 ABCB1 (0.50) ABCB1CA1CA2CA7CA4
SCHEMBL19479763 0.84 L3MBTL1 (0.38) ABCB1L3MBTL1
SCHEMBL22458616 0.84 L3MBTL1 (0.38) ABCB1L3MBTL1
SCHEMBL23278950 0.83 L3MBTL1 (0.37) ABCB1L3MBTL1BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-09-26 US disclosed
EP-3210627-B1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO LTD (CN) 2022-12-21 EP disclosed
US-11274124-B2 Tubulysin analogues as anticancer agents and payloads for antibody-drug conjugates and methods of treatment therewith WILLIAM MARSH RICE UNIVERSITY (US) 2022-03-15 US disclosed
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-24 US disclosed
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-24 US disclosed
EP-3261443-B1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIV RICE WILLIAM M (US) 2021-04-28 EP disclosed
US-10808007-B2 Desacetoxytubulysin H and analogs thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-10-20 US disclosed
US-10808007-B2 Desacetoxytubulysin H and analogs thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-10-20 US disclosed
EP-2872157-B1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO LTD (CN) 2020-01-22 EP disclosed
US-20190330149-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-10-31 US 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-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-05-10 US 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
EP-3210627-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou Dac Biotech Co., Ltd (CN) 2017-08-30 EP disclosed
WO-2016138288-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2016-09-01 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 (10 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-20190330149-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ABCB1 944/4885CA1 2258/4885CA2 4016/4885
US-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF REN, MAN2B2, UTS2R ABCB1 980/4885CA1 4446/4885CA2 3753/4885
US-10399941-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ABCB1 944/4885CA1 2258/4885CA2 4016/4885
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ABCB1 944/4885CA1 2258/4885CA2 4016/4885
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH TEK, CD2BP2, SDCBP ABCB1 184/4885CA1 3161/4885CA2 2563/4885
US-20180021448-A9 Conjugates of Cell Binding Molecules with Cytotoxic Agents CD4, CD2, CD47 ABCB1 944/4885CA1 2258/4885CA2 4016/4885
US-20170296663-A1 Conjugates of Cell Binding Molecules with Cytotoxic Agents CD4, CD2, CD47 ABCB1 944/4885CA1 2258/4885CA2 4016/4885
US-10808007-B2 Desacetoxytubulysin H and analogs thereof REN, MAN2B2, UTS2R ABCB1 980/4885CA1 4446/4885CA2 3753/4885
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ABCB1 954/4885CA1 2246/4885CA2 3983/4885
US-11274124-B2 Tubulysin analogues as anticancer agents and payloads for antibody-drug conjugates and methods of treatment therewith TEK, CD2BP2, SDCBP ABCB1 184/4885CA1 3161/4885CA2 2563/4885

“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.