SCHEMBL6539554

SCHEMBL6539554

O=[C]CCNC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 1/20 0.63
KEAP1 Q14145 2/20 0.58
NFE2L2 Q16236 2/20 0.58
TGM2 P21980 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KAT2B Q92831 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
CTSL P07711 2/20 0.49
CTSS P25774 2/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL3724360 0.91 HTT (0.68) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL6444986 0.89 HTT (0.67) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7283930 0.88 TGM2 (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7283534 0.88 TGM2 (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL9222029 0.88 TGM2 (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7283765 0.88 TGM2 (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7285301 0.88 TGM2 (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL3151115 0.88 TGM2 (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL13055383 0.86 LMNA (0.80) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL708331 0.86 LMNA (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1262671-C Novel enzyme substrates for the detection of Pseudomonas aeruginosa, compositions containing them, and methods for detecting this species BIOMERIEUX SA (FR) 2006-07-05 CN disclosed
CN-1216046-C Improved methods of synthesis for 9-substituted hypoxanthine derivatives MORK EPROWA AG (CH) 2005-08-24 CN disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
CN-1449387-A Improved methods of synthesis for 9-substituted hypoxanthine derivatives NEOTHERAPEUTICS INC (US) 2003-10-15 CN disclosed
CN-1408026-A Novel enzyme substrates for the detection of Pseudomonas aeruginosa, compositions containing them, and methods for detecting this species BIOMERIEUX SA (FR) 2003-04-02 CN disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
WO-1999042099-A1 LOW MOLECULAR WEIGHT COMPOUNDS ADMINISTERED TOGETHER WITH ANTI-CANCER AGENTS TO TREAT CANCER AND PHARMACEUTICAL COMPOSITIONS THEREOF DOVETAIL TECHNOLOGIES INC. (US) 1999-08-26 WO disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
US-5610315-A Process for the preparation of 6,7-diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-03-11 US disclosed
US-5484954-A HEATING, DEACYLATING NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-01-16 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
US-5302730-A Acylation with acetic acid at positions one and seven; eliminating acyl group at position seven by solvolysis NIPPON KAYAKU KK (JP) 1994-04-12 US disclosed
EP-0297496-B1 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KK (JP) 1994-01-19 EP disclosed
EP-0297496-A2 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-01-04 EP disclosed
EP-0115227-B1 PEPTIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1987-03-18 EP disclosed
US-4530837-A Containing tryptophan COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1985-07-23 US disclosed
EP-0115227-A1 Peptide derivatives, process for their preparation and their pharmaceutical use COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1984-08-08 EP disclosed
US-4183920-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1980-01-15 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 (1 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB LMNA 1535/4885SMN1; SMN2 2439/4885HTT 3050/4885

“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.