SCHEMBL78362

SCHEMBL78362

O=C1C[C@H](NC(=O)OCc2ccccc2)CO1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.56
EPHX1 P07099 1/20 0.53
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
TLR4 O00206 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ACHE P22303 2/20 0.49
NAAA Q02083 2/20 0.47
DPP4 P27487 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CPB1 P15086 1/20 0.45

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
SCHEMBL2617393 1.00 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL382338 1.00 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL11034837 0.88 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL25531048 0.87 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL15011935 0.86 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL4101161 0.84 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL359650 0.82 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL29134391 0.81 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1CTSL
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 0.81 EPHX1 (0.76) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL17207725 0.81 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
WO-2023108031-A1 PRODRUGS FOR COMPOUNDS SPECIFIC TO GRANZYME B AND USES THEREOF CYTOSITE BIOPHARMA INC. (US) 2023-06-15 WO disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
EP-3095784-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-23 EP disclosed
US-9493431-B2 Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-11-15 US disclosed
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
EP-1685119-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2016-03-09 EP disclosed
CN-105294531-A Synthetic method of kainic acid UNIV SHAANXI NORMAL 2016-02-03 CN disclosed
US-20070015787-A1 Apoptosis promoters ABBVIE INC. 2007-01-18 US disclosed
US-20060258657-A1 Apoptosis promoters ABBVIE INC. 2006-11-16 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20060128706-A1 Apoptosis promoters ABBVIE INC. 2006-06-15 US disclosed
WO-2005117543-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-12-15 WO disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050159427-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2005-07-21 US disclosed
CN-1054980-A Optically active 8-BAY 128039 carboxylic acid derivative, their preparation method and their intermediate KYORIN SEIYAKU KK (JP) 1991-10-02 CN disclosed
EP-0415487-A2 Beta-lactams as anticholesterolemic agents MERCK & CO. INC. (US) 1991-03-06 EP 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-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 ALDH1A1 3731/4885GAA 2001/4885TSHR 4124/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ALDH1A1 4838/4885GAA 3831/4885TSHR 3295/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 ALDH1A1 3430/4885GAA 4757/4885TSHR 299/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 ALDH1A1 3731/4885GAA 2001/4885TSHR 4124/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 ALDH1A1 3731/4885GAA 2001/4885TSHR 4124/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 ALDH1A1 4016/4885GAA 2370/4885TSHR 4317/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD ALDH1A1 2354/4885GAA 2829/4885TSHR 4115/4885

“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.