SCHEMBL5901034

SCHEMBL5901034

N=C(N)c1ccc(NCP(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.48
PRSS1 P07477 8/20 0.46
F2 P00734 5/20 0.46
PLG P00747 3/20 0.46
PLAU P00749 3/20 0.46
PLAT P00750 3/20 0.46
KLK8 O60259 2/20 0.46
F10 P00742 2/20 0.46
KLK4 Q9Y5K2 2/20 0.46
TMPRSS6 Q8IU80 3/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
KLK1 P06870 1/20 0.43
KLK2 P20151 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
SCHEMBL24359705 0.85 KDM4E (0.48) PLAUKLK8KLK4KLK2
SCHEMBL3394756 0.78 PLAU (0.63) PRSS1F2PLGPLAUPLAT
SCHEMBL24359520 0.77 KDM4E (0.41) PLAUKLK8KLK4KLK2
SCHEMBL8498158 0.76 PRSS1 (0.58) PRSS1F2TMPRSS6PRSS2PRSS3
SCHEMBL24359718 0.70 KDM4E (0.36) PLAUKLK8KLK4KLK2
SCHEMBL7329993 0.69 MRGPRX1 (0.74) MRGPRX1PRSS1F2F10TMPRSS6
SCHEMBL1363819 0.69 F2 (0.56) PRSS1F2PLGPLAUPLAT
SCHEMBL2242403 0.69 PLAU (0.67) F2PLGPLAUPLATKLK8
Hydrochloric Acid SCHEMBL7387182 0.68 F2 (0.55) PRSS1F2PLGPLAUPLAT
Hydrochloric Acid SCHEMBL7422244 0.68 F2 (0.55) PRSS1F2PLGPLAUPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111553-A1 Novel thrombin inhibitors, the preparation and use thereof ABBOTT GMBH & CO. KG (DE) 2006-05-25 US disclosed
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-6740647-B1 AMIDINES AND HYDROXYAMIDINE DERIVATIVES ABBOTT GMBH & CO., KG (DE) 2004-05-25 US disclosed
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof BOHM HANS-JOACHIM (DE) 2003-01-02 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6455671-B1 COMPOUND FOR USE IN THE TREATMENT OF THROMBOSIS ABBOTT LABORATORIES 2002-09-24 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6440937-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERIN PROTEASES, ESPECIALLY THROMBIN AND KININOGENASES SUCH AS KALLIKREIN; THROMBIN INHIBITORS, ANTICOAGULANTS, AND ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES 2002-08-27 US disclosed
US-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5952307-A Basic α-aminoalkylphosphonate derivatives GEORGIA TECH RESEARCH CORP. (US) 1999-09-14 US disclosed
US-5686419-A SERINE PROTEASE INHIBITOR ANTICOAGULANTS GEORGIA TECH RESEARCH CORP. (US) 1997-11-11 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 (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-20060111553-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, F2, TFPI2 MRGPRX1 496/4885PRSS1 34/4885F2 2/4885
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, SERPINC1, F2 MRGPRX1 395/4885PRSS1 29/4885F2 3/4885
US-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 MRGPRX1 305/4885PRSS1 53/4885F2 5/4885

“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.