SCHEMBL2167336

SCHEMBL2167336

N=C(N)c1ccc(C(=O)NC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 11/20 0.51
F2 P00734 11/20 0.51
F10 P00742 9/20 0.51
PLG P00747 8/20 0.51
TMPRSS2 O15393 2/20 0.44
PRSS1 P07477 3/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ADRA1B P35368 1/20 0.41
KLKB1 P03952 1/20 0.40
PROC P04070 1/20 0.40

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 SCHEMBL6853389 0.99 TMPRSS11D (0.50) TMPRSS11DF2F10PLGTMPRSS2
SCHEMBL5499067 0.91 F10 (0.42) TMPRSS11DF2F10PLGPRSS1
SCHEMBL3805077 0.90 F10 (0.43) TMPRSS11DF2F10PLGPRSS1
Hydrochloric Acid SCHEMBL6544447 0.90 F10 (0.42) TMPRSS11DF2F10PLGPRSS1
Hydrochloric Acid SCHEMBL2828492 0.89 F10 (0.42) TMPRSS11DF2F10PLGPRSS1
SCHEMBL8346530 0.88 F2 (0.57) TMPRSS11DF2F10PLGTMPRSS2
SCHEMBL49083 0.87 TMPRSS11D (0.49) TMPRSS11DF2F10PLGTMPRSS2
SCHEMBL635785 0.87 TMPRSS11D (0.53) TMPRSS11DF2F10PLGTMPRSS2
SCHEMBL2821370 0.83 F10 (0.38) TMPRSS11DF2F10PLGPRSS1
SCHEMBL2167189 0.83 TMPRSS11D (0.50) TMPRSS11DF2F10PLGTMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224131-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE DSM IP ASSETS B.V. (NL) 2013-08-29 US claimed
US-20110177140-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE DSM IP ASSETS B.V. (NL) 2011-07-21 US claimed
EP-2197409-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE DSM IP Assets B.V. (NL) 2010-06-23 EP claimed
WO-2009026949-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE DSM IP ASSETS B.V. (NL) 2009-03-05 WO claimed
US-20130224131-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE DSM IP ASSETS B.V. (NL) 2013-08-29 US disclosed
US-8476306-B2 Urokinase inhibitors, production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-02 US disclosed
US-20110177140-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE DSM IP ASSETS B.V. (NL) 2011-07-21 US disclosed
US-20110065799-A1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-03-17 US disclosed
US-7838560-B2 for the therapy, prophylaxis and diagnosis of a tumor; benzylsulfonyl-D-Ser-Glu-4-amidinobenzylamidexTFA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-11-23 US disclosed
EP-2197409-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE DSM IP Assets B.V. (NL) 2010-06-23 EP disclosed
WO-2009026949-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE DSM IP ASSETS B.V. (NL) 2009-03-05 WO disclosed
EP-1485345-B1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF CURACYTE AG (DE) 2008-06-25 EP disclosed
US-20050176993-A1 Urokinase inhibitors, production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2005-08-11 US disclosed
EP-1294742-B1 UROKINASE INHIBITORS CURACYTE AG (DE) 2004-03-31 EP disclosed
EP-1294742-A2 UROKINASE INHIBITORS Curacyte AG (DE) 2003-03-26 EP disclosed
WO-2001096286-A2 UROKINASE INHIBITORS CURACYTE AG (DE) 2001-12-20 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-20110177140-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE CUTA, PADI4, HNMT TMPRSS11D 1344/4885F2 473/4885F10 838/4885
US-20130224131-A1 4-AMIDINO BENZYLAMINES FOR COSMETIC AND/OR DERMATOLOGICAL USE CUTA, PADI4, HNMT TMPRSS11D 1344/4885F2 473/4885F10 838/4885
US-20050176993-A1 Urokinase inhibitors, production and use thereof PLAU, PLAUR, SERPINE1 TMPRSS11D 163/4885F2 61/4885F10 94/4885
US-20110065799-A1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF PLAU, PLAUR, SERPINE1 TMPRSS11D 163/4885F2 61/4885F10 94/4885

“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.