SCHEMBL7368731

SCHEMBL7368731

CNCCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.50
PAX8 Q06710 1/20 0.50
ALDH1A1 P00352 4/20 0.49
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ABCB1 P08183 1/20 0.45
HDAC1 Q13547 1/20 0.45
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRSS1 P07477 1/20 0.43

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
Hydrochloric Acid SCHEMBL23388381 0.98 CCR6 (0.49) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL11974131 0.91 CCR6 (0.55) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL7367495 0.87 ALDH1A1 (0.58) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL24797627 0.87 PRSS1 (0.45) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL10827358 0.85 LMNA (0.60) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL30781926 0.85 ATM (0.46) ACHEL3MBTL1KMT2A
SCHEMBL7367661 0.85 CCR6 (0.51) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL164180 0.84 ALDH1A1 (0.51) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL1678201 0.84 DRD2 (0.50) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL31305080 0.84 CCR6 (0.49) CCR6PAX8ALDH1A1MAPTHPGD

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-12606524-B2 Synthesis of pyrrole acid derivatives Infex Therapeutics Limited (GB) 2026-04-21 US disclosed
WO-2024238872-A2 ISOINDOLINONE-GLUTARIMIDE ANTIBODY CONJUGATES, AND USES THEREOF FIREFLY BIO, INC. (US) 2024-11-21 WO disclosed
US-20230286915-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES Infex Therapeutics Limited (GB) 2023-09-14 US disclosed
US-20230286915-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES Infex Therapeutics Limited (GB) 2023-09-14 US disclosed
EP-4225734-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES Infex Therapeutics Limited (GB) 2023-08-16 EP disclosed
CN-116249533-A Intestinal tract cracking type co-drug and preparation and application thereof 轶诺(浙江)药业有限公司 2023-06-09 CN disclosed
CN-116209652-A Synthesis of pyrrole acid derivatives 英菲克斯治疗有限公司 2023-06-02 CN disclosed
WO-2022074385-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES Infex Therapeutics Limited (GB) 2022-04-14 WO disclosed
US-20170058031-A1 HUMAN ANTIBODIES THAT BIND CD22 AND USES THEREOF SQUIBB & SONS LLC (US) 2017-03-02 US disclosed
US-9499632-B2 Human antibodies that bind CD22 and uses thereof E.R. SQUIBB & SONS, L.L.C. (US) 2016-11-22 US disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 WO disclosed
WO-2007038658-A2 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MEDAREX, INC. (US) 2007-04-05 WO disclosed
EP-0688314-B1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 2001-10-04 EP disclosed
US-5804559-A WATER SOLUBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed
EP-0688314-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
WO-1994021604-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed
US-5348953-A Elastase inhibitor MERCK & CO., INC. (US) 1994-09-20 US disclosed
WO-1994013636-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
EP-0525973-A2 Substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1993000332-A1 SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-01-07 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 (3 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-12606524-B2 Synthesis of pyrrole acid derivatives SRR, ME1, CD79B CCR6 797/4885PAX8 2843/4885ALDH1A1 743/4885
US-20170058031-A1 HUMAN ANTIBODIES THAT BIND CD22 AND USES THEREOF CD2BP2, CD22, CD2 CCR6 227/4885PAX8 2226/4885ALDH1A1 1167/4885
US-20230286915-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES PEPD, ALDH18A1, PREP CCR6 3584/4885PAX8 3146/4885ALDH1A1 872/4885

“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.