SCHEMBL3835147

SCHEMBL3835147

COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 3/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
UCHL1 P09936 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
ABL1 P00519 2/20 0.43
RIN1 Q13671 1/20 0.43
MAPK1 P28482 1/20 0.41
BCR P11274 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4757297 1.00 NPC1 (0.53) NPC1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL13780947 0.81 F10 (0.61) NPC1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL3833581 0.80 F10 (0.57) CYP2C19POLBTSHRMAPTMEN1
SCHEMBL3833582 0.80 F10 (0.57) CYP2C19POLBTSHRMAPTMEN1
SCHEMBL31188308 0.79 F10 (0.46) NPC1POLBMAPTALDH1A1PTPN2
SCHEMBL29865705 0.79 HTRA1 (0.56) NPC1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL77720 0.78 F10 (0.60) NPC1MAPTF10
SCHEMBL29865605 0.78 NPC1 (0.56) NPC1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL8272988 0.78 NPC1 (0.74) NPC1CYP2C19CYP1A2POLBCYP3A4
SCHEMBL13325458 0.78 POLB (0.61) NPC1CYP2C19CYP1A2POLBCYP3A4

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-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-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
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP 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
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 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 (6 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 NPC1 3436/4885CYP2C19 656/4885CYP1A2 764/4885
US-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 NPC1 2106/4885CYP2C19 484/4885CYP1A2 1022/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 NPC1 1830/4885CYP2C19 609/4885CYP1A2 1132/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI NPC1 3091/4885CYP2C19 649/4885CYP1A2 670/4885
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 NPC1 2278/4885CYP2C19 1099/4885CYP1A2 1143/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI NPC1 3091/4885CYP2C19 649/4885CYP1A2 670/4885

“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.