SCHEMBL5761389

SCHEMBL5761389

NC(=O)[C@@H](N)COCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.62
TACR1 P25103 2/20 0.53
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
TSHR P16473 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47

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
SCHEMBL2713781 1.00 SLC1A1 (0.62) SLC1A1TACR1CA1CA2CA7
SCHEMBL2781638 1.00 SLC1A1 (0.62) SLC1A1TACR1CA1CA2CA7
Hydrochloric Acid SCHEMBL3901113 0.98 SLC1A1 (0.60) SLC1A1TACR1CA1CA2CA7
Hydrochloric Acid SCHEMBL16495177 0.98 SLC1A1 (0.60) SLC1A1TACR1CA1CA2CA7
SCHEMBL561330 0.87 SLC1A1 (0.73) SLC1A1TACR1CA1CA2CA7
SCHEMBL2037281 0.87 SLC1A1 (0.73) SLC1A1TACR1CA1CA2CA7
SCHEMBL185608 0.87 SLC1A1 (0.73) SLC1A1TACR1CA1CA2CA7
Hydrochloric Acid SCHEMBL857896 0.86 SLC1A1 (0.71) SLC1A1TACR1CA1CA2CA7
Hydrochloric Acid SCHEMBL29350764 0.86 SLC1A1 (0.71) SLC1A1TACR1CA1CA2CA7
Hydrochloric Acid SCHEMBL9989072 0.86 SLC1A1 (0.71) SLC1A1TACR1CA1CA2CA7

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012398-B2 Acylated exendin-4 compounds NOVO NORDISK A/S (DK) 2015-04-21 US disclosed
US-20120283170-A1 Acylated Exendin-4 Compounds NOVO NORDISK A/S (DK) 2012-11-08 US disclosed
EP-1399431-B1 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-02-18 EP disclosed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO disclosed
EP-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 EP disclosed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
US-5629285-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-05-13 US disclosed
EP-0715619-A4 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORP (US) 1997-03-19 EP disclosed
US-5594106-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-01-14 US disclosed
EP-0715619-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1996-06-12 EP disclosed
WO-1995006031-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1995-03-02 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 (4 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP SLC1A1 3349/4885TACR1 592/4885CA1 4129/4885
US-20120283170-A1 Acylated Exendin-4 Compounds GLP1R, VIP, IAPP SLC1A1 960/4885TACR1 1792/4885CA1 3132/4885
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 SLC1A1 1726/4885TACR1 1305/4885CA1 246/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 SLC1A1 1726/4885TACR1 1305/4885CA1 246/4885

“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.