SCHEMBL3833424

SCHEMBL3833424

CO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N3CCC(N)C3)cc2)N(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.44
▸ BACE1 P56817 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ F11 P03951 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MGLL Q99685 1/20 0.39

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
SCHEMBL3830235 0.85 F10 (0.43) POLB
SCHEMBL3828773 0.84 F11 (0.44) F11TSHRHTTALDH1A1NAMPT
SCHEMBL14143311 0.77 ABL1 (0.44) SMN1; SMN2F11TSHRALDH1A1POLB
SCHEMBL3835344 0.76 F10 (0.49) SMN1; SMN2ALDH1A1POLBHPGDMGLL
SCHEMBL3832358 0.75 F10 (0.51) SMN1; SMN2ALDH1A1POLBHPGDMGLL
SCHEMBL3830346 0.74 F10 (0.53) SMN1; SMN2ALDH1A1POLBHPGDMGLL
SCHEMBL3833960 0.74 F10 (0.48) SMN1; SMN2ALDH1A1POLBMGLL
SCHEMBL8467270 0.73 SMN1; SMN2 (0.46) SMN1; SMN2TSHRNAMPT
SCHEMBL3830434 0.72 F10 (0.55) SMN1; SMN2ALDH1A1POLBMGLL
SCHEMBL3441087 0.72 HCRTR1 (0.41) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 — — US claimed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 — — EP claimed
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
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
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
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 (2 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 ACHE 845/4885BACE1 148/4885SMN1; SMN2 3201/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI ACHE 922/4885BACE1 134/4885SMN1; SMN2 2983/4885

“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.

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