Sugi Predict

Sugi Predict / Compounds / SCHEMBL9921624

SCHEMBL9921624

SCHEMBL9921624

CN1CCCC[C@@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ BCHE P06276 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
SCHEMBL2557179 1.00 CYP3A4 (0.39) CYP3A4CYP2D6EPHX1CNR2SMN1; SMN2
SCHEMBL11920765 1.00 CYP3A4 (0.39) CYP3A4CYP2D6EPHX1CNR2SMN1; SMN2
SCHEMBL12626582 0.98 CYP3A4 (0.38) CYP3A4CYP2D6EPHX1CNR2SMN1; SMN2
SCHEMBL23279249 0.98 CYP3A4 (0.38) CYP3A4CYP2D6EPHX1CNR2SMN1; SMN2
SCHEMBL11920764 0.98 CYP3A4 (0.38) CYP3A4CYP2D6EPHX1CNR2SMN1; SMN2
SCHEMBL153362 0.93 — —
SCHEMBL1369765 0.93 — —
SCHEMBL4404382 0.93 — —
Hydrochloric Acid SCHEMBL530195 0.91 CYP3A4 (0.42) CYP3A4CYP2D6EPHX1SMN1; SMN2PARP1
Hydrochloric Acid SCHEMBL3965022 0.91 CYP3A4 (0.42) CYP3A4CYP2D6EPHX1SMN1; SMN2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 — — WO disclosed
WO-2023061263-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2023-04-20 — — WO disclosed
EP-3888691-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-10-06 — — EP disclosed
EP-3862023-A1 CONJUGATES OF CELL-BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou DAC Biotech Co, Ltd (CN) 2021-08-11 — — EP disclosed
EP-3261443-B1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIV RICE WILLIAM M (US) 2021-04-28 — — EP disclosed
US-10889616-B2 Cytotoxic tubulysin compounds for conjugation TUBE PHARMACEUTICALS GMBH (AT) 2021-01-12 — — US disclosed
WO-2020258893-A1 A FORMULATION OF A CONJUGATE OF A TUBULYSIN ANALOG TO A CELL-BINDING MOLECULE HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-12-30 — — WO disclosed
US-10821188-B2 Luteinizing hormone-releasing hormone receptor (LHRH-R) conjugates and uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-11-03 — — US disclosed
US-10696700-B2 Charged linkers and their uses for conjugation HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-30 — — US disclosed
US-10696699-B2 Charged linkers and their uses for conjugation HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-30 — — US disclosed
WO-2014160360-A1 TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC. (US) 2014-10-02 — — WO disclosed
US-20120252739-A1 Tubulin Inhibitors R&D BIOPHARMACEUTICALS GMBH (DE) 2012-10-04 — — US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 — — US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 — — US disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 — — EP disclosed
WO-2012019123-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE, INC. (US) 2012-02-09 — — WO disclosed
WO-2012010287-A1 TUBULYSIN ANALOGUES LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (DE) 2012-01-26 — — WO disclosed
WO-2009134279-A1 TUBULYSIN D ANALOGUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-11-05 — — WO disclosed
WO-2009012958-A2 TUBULYSIN D ANALOGUES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2009-01-29 — — WO disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — 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 (6 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-10696700-B2 Charged linkers and their uses for conjugation PHOSPHO1, PCTP, CD2BP2 CYP3A4 4852/4885CYP2D6 4795/4885EPHX1 2397/4885
US-20120252739-A1 Tubulin Inhibitors TUBB1, TUBB, TUBA1C CYP3A4 4369/4885CYP2D6 4171/4885EPHX1 4545/4885
US-10889616-B2 Cytotoxic tubulysin compounds for conjugation NGLY1, TEKT1, TWF2 CYP3A4 4674/4885CYP2D6 4421/4885EPHX1 4429/4885
US-10821188-B2 Luteinizing hormone-releasing hormone receptor (LHRH-R) conjugates and uses thereof GNRHR, LHCGR, GHRHR CYP3A4 4472/4885CYP2D6 3857/4885EPHX1 2873/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 CYP3A4 602/4885CYP2D6 522/4885EPHX1 4330/4885
US-10696699-B2 Charged linkers and their uses for conjugation PHOSPHO1, PCTP, CD2BP2 CYP3A4 4852/4885CYP2D6 4795/4885EPHX1 2397/4885

“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.