SCHEMBL3548775

SCHEMBL3548775

COC(=O)[C@H]1C[C@@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.41
SCN9A Q15858 1/20 0.40
ANPEP P15144 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 4/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
KCNN4 O15554 1/20 0.38
SLC6A4 P31645 2/20 0.38
BRD4 O60885 2/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5200976 1.00 MMP2 (0.41) MMP2SCN9AANPEPALDH1A1KMT2A
SCHEMBL29276034 1.00 MMP2 (0.41) MMP2SCN9AANPEPALDH1A1KMT2A
SCHEMBL31696759 1.00 MMP2 (0.41) MMP2SCN9AANPEPALDH1A1KMT2A
SCHEMBL26062663 1.00 MMP2 (0.41) MMP2SCN9AANPEPALDH1A1KMT2A
SCHEMBL3548773 1.00 MMP2 (0.41) MMP2SCN9AANPEPALDH1A1KMT2A
SCHEMBL2298094 0.87 KCNN4 (0.43) MMP2ANPEPALDH1A1KMT2ACYP3A4
SCHEMBL992573 0.87 KCNN4 (0.43) MMP2ANPEPALDH1A1KMT2ACYP3A4
SCHEMBL992574 0.87 KCNN4 (0.43) MMP2ANPEPALDH1A1KMT2ACYP3A4
SCHEMBL14762802 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMEN1CYP1A2
SCHEMBL6586331 0.85 MMP2 (0.41) MMP2ANPEPKMT2ACYP3A4KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 US disclosed
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 EP disclosed
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade WARNER-LAMBERT COMPANY LLC 2008-11-20 US disclosed
US-7407974-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 US disclosed
US-7407972-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 US disclosed
EP-1671949-B1 Substituted Pyridinylamines WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC 2006-11-23 US disclosed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 EP disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US disclosed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 EP disclosed
US-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-12-01 US disclosed
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-11-10 US disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 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 (7 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-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade TFPI, F11, F2 MMP2 190/4885SCN9A 1898/4885ANPEP 175/4885
US-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 MMP2 202/4885SCN9A 973/4885ANPEP 178/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 MMP2 260/4885SCN9A 1146/4885ANPEP 232/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI MMP2 240/4885SCN9A 1840/4885ANPEP 207/4885
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 MMP2 102/4885SCN9A 1697/4885ANPEP 425/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI MMP2 240/4885SCN9A 1840/4885ANPEP 207/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE MMP2 1277/4885SCN9A 4080/4885ANPEP 160/4885

“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.