SCHEMBL2820939

SCHEMBL2820939

O=C(O)[C@H](CO)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.59
▸ SLC1A2 P43004 1/20 0.59
▸ SLC1A1 P43005 1/20 0.59
▸ ITGB3 P05106 4/20 0.53
▸ ITGA2B P08514 3/20 0.53
▸ MMP2 P08253 6/20 0.53
▸ MMP9 P14780 5/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ MMP1 P03956 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ MME P08473 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ADAMTS4 O75173 1/20 0.47
▸ ITGAV P06756 1/20 0.46
▸ TMPRSS11D O60235 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
SCHEMBL7160235 1.00 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL7402563 1.00 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL6668234 0.87 ITGB3 (0.67) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL5502396 0.87 ITGB3 (0.67) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL6093215 0.87 ITGB3 (0.67) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL6671273 0.85 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL8798534 0.85 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL6671271 0.85 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL3898276 0.85 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL7373819 0.85 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059738-B2 Process for the production of a dipeptide derivative DSM IP ASSETS B.V. (NL) 2018-08-28 — — US disclosed
EP-3160939-B1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS BV (NL) 2018-05-02 — — EP disclosed
US-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS B.V. (NL) 2017-05-25 — — US disclosed
EP-2960232-A1 Process for the production of a dipeptide derivative DSM IP Assets B.V. (NL) 2015-12-30 — — EP disclosed
EP-1628965-B1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS WILEX AG (DE) 2015-07-22 — — EP disclosed
US-7807681-B2 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2010-10-05 — — US disclosed
US-7608623-B2 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2009-10-27 — — US disclosed
US-20080261998-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2008-10-23 — — US disclosed
US-20060142305-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2006-06-29 — — US disclosed
EP-1628965-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS Wilex AG (DE) 2006-03-01 — — EP disclosed
WO-2004103984-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS WILEX AG (DE) 2004-12-02 — — WO disclosed
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 — — US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 — — US disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 — — 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 (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-20060142305-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors PLAU, PLAUR, HPN SLC1A3 2109/4885SLC1A2 2309/4885SLC1A1 2267/4885
US-10059738-B2 Process for the production of a dipeptide derivative VIP, PEPD, DNPEP SLC1A3 673/4885SLC1A2 1609/4885SLC1A1 555/4885
US-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE VIP, PEPD, DNPEP SLC1A3 673/4885SLC1A2 1609/4885SLC1A1 555/4885
US-20080261998-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors PLAU, PLAUR, HPN SLC1A3 2109/4885SLC1A2 2309/4885SLC1A1 2267/4885

“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.

Send feedback