Sugi Predict

Sugi Predict / Compounds / SCHEMBL2089243

SCHEMBL2089243

SCHEMBL2089243

CC[C@](N)(C(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.45
▸ CYP2C19 P33261 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KIF11 P52732 1/20 0.44
▸ GRM5 P41594 1/20 0.41
▸ GRM1 Q13255 1/20 0.41
▸ KCNN4 O15554 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL2089245 1.00 CYP1A2 (0.70) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL305912 1.00 CYP1A2 (0.70) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL27843752 0.98 CYP1A2 (0.68) CYP1A2KMT2AMEN1CYP2D6MAPT
Hydrochloric Acid SCHEMBL1630962 0.98 CYP1A2 (0.68) CYP1A2KMT2AMEN1CYP2D6MAPT
Water SCHEMBL8329268 0.98 CYP1A2 (0.68) CYP1A2KMT2AMEN1CYP2D6MAPT
Alanine SCHEMBL8332079 0.89 CYP1A2 (0.58) CYP1A2KMT2AMEN1CYP2D6KIF11
Pyridine SCHEMBL14814831 0.89 CYP1A2 (0.58) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL6994278 0.86 KMT2A (0.53) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL11502866 0.86 CYP1A2 (0.53) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL2576437 0.84 CYP1A2 (0.51) CYP1A2KMT2AMEN1CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 — — US claimed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 — — US claimed
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 — — US disclosed
US-20230293624-A1 METHODS FOR PREVENTING OR TREATING MITOCHONDRIAL PERMEABILITY TRANSITION CORNELL RESEARCH FOUNDATION, INC. (US) 2023-09-21 — — US disclosed
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 — — EP disclosed
EP-3353157-B1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS UNIV CARNEGIE MELLON (US) 2021-11-24 — — EP disclosed
US-20210086171-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY 2021-03-25 — — US disclosed
US-10926248-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2021-02-23 — — US disclosed
US-20180304247-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY 2018-10-25 — — US disclosed
CN-101932552-B Derivatives of 2-amino-2-phenyl-alkanols, preparation thereof and pharmaceutical compositions containing same OROXCELL 2014-06-18 — — CN disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 — — US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 — — US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 — — US disclosed
US-7060818-B2 Synthesis of macrocyclic tetraamido compounds and new metal insertion process CARNEGIE MELLON UNIVERSITY (US) 2006-06-13 — — US disclosed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 — — EP disclosed
EP-0914206-B1 LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS UNIV CARNEGIE MELLON (US) 2002-12-11 — — EP disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 — — US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 — — US disclosed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 — — EP disclosed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 — — 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 (7 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-10926248-B2 Far superior oxidation catalysts based on macrocyclic compounds ME3, SOD1, DUOX1 CYP1A2 2172/4885KMT2A 1514/4885MEN1 890/4885
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO CYP1A2 3272/4885KMT2A 4211/4885MEN1 3561/4885
US-20180304247-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS ME3, SOD1, DUOX1 CYP1A2 2172/4885KMT2A 1514/4885MEN1 890/4885
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 CYP1A2 2597/4885KMT2A 1276/4885MEN1 848/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO CYP1A2 3272/4885KMT2A 4211/4885MEN1 3561/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO CYP1A2 3272/4885KMT2A 4211/4885MEN1 3561/4885
US-20210086171-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS ME3, ME2, ME1 CYP1A2 2843/4885KMT2A 1936/4885MEN1 1111/4885

“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.