Sugi Predict

Sugi Predict / Compounds / SCHEMBL15947604

SCHEMBL15947604

SCHEMBL15947604

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 5/20 0.50
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA4 P22748 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.37
▸ PTPRB P23467 8/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL20800061 1.00 ABCB1 (0.50) ABCB1CA1CA2CA7CA4
SCHEMBL18928362 0.90 ABCB1 (0.54) ABCB1CA1CA2CA7CA4
SCHEMBL13108147 0.90 ABCB1 (0.54) ABCB1CA1CA2CA7CA4
SCHEMBL15432495 0.90 ABCB1 (0.54) ABCB1CA1CA2CA7CA4
SCHEMBL24140388 0.87 ABCB1 (0.67) ABCB1CA1CA2CA7PTPRB
SCHEMBL28923528 0.87 ABCB1 (0.67) ABCB1CA1CA2CA7PTPRB
SCHEMBL24140416 0.87 ABCB1 (0.67) ABCB1CA1CA2CA7PTPRB
SCHEMBL18055002 0.85 ABCB1 (0.49) ABCB1CA1CA2CA7CA4
SCHEMBL22542592 0.85 ABCB1 (0.49) ABCB1CA1CA2CA7CA4
SCHEMBL3443893 0.85 ABCB1 (0.40) ABCB1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-05-10 — — US disclosed
US-20170260232-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 — — US disclosed
US-9688721-B2 Tubulysin compounds, methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 — — US disclosed
EP-2956173-B1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2017-03-29 — — EP disclosed
US-20160264624-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2016-09-15 — — US disclosed
WO-2016138288-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2016-09-01 — — WO disclosed
US-9382289-B2 Tubulysin compounds, methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-05 — — US disclosed
US-9109008-B2 Tubulysin compounds, methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-18 — — US disclosed
US-20150132324-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 — — US disclosed
US-8980824-B2 Tubulysin compounds, methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-17 — — US disclosed
US-20140227295-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2014-08-14 — — 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-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF REN, MAN2B2, UTS2R ABCB1 980/4885CA1 4446/4885CA2 3753/4885
US-20150132324-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE CCNB1, CCNB3, CCNB2 ABCB1 1324/4885CA1 3664/4885CA2 3199/4885
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-20140227295-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE CCNB1, CCNB3, CCNB2 ABCB1 1324/4885CA1 3664/4885CA2 3199/4885
US-20160264624-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE CCNB1, CCNB3, CCNB2 ABCB1 1339/4885CA1 3543/4885CA2 3014/4885
US-10808007-B2 Desacetoxytubulysin H and analogs thereof REN, MAN2B2, UTS2R ABCB1 980/4885CA1 4446/4885CA2 3753/4885
US-20170260232-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE CCNB1, CCNB3, CCNB2 ABCB1 1339/4885CA1 3543/4885CA2 3014/4885
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.