SCHEMBL6418756

SCHEMBL6418756

CCC(C(=O)O)c1cccc(NC)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK8 P45983 1/20 0.37
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
ITGB1 P05556 4/20 0.36
ITGA5 P08648 4/20 0.36
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
HTT P42858 1/20 0.35
CTPS1 P17812 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
CPB2 Q96IY4 1/20 0.35

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
SCHEMBL895908 0.79 HTT (0.45) KDM4EAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL1400599 0.78 CTSA (0.39) SMN1; SMN2AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL1813215 0.78 IRAK4 (0.41) LMNASMN1; SMN2AKR1C3AKR1C2AKR1C1
SCHEMBL7230001 0.78 CPB2 (0.44) KDM4EAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL6175456 0.77 CCNT1 (0.40) MAPK8AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL21392235 0.77 CTPS1 (0.58) CTPS1
SCHEMBL20487063 0.73 KCNH2 (0.44) KCNH2SCN5A
SCHEMBL5791185 0.73 FFAR1 (0.42) KCNH2SCN5AITGB3ITGAV
SCHEMBL29675928 0.72 KCNH2 (0.40) KCNH2SCN5ASMN1; SMN2ITGB1ITGA5
SCHEMBL6178948 0.71 HSD11B1 (0.45) KCNH2SCN5ASMN1; SMN2GAA

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
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 KCNH2 3290/4885SCN5A 3591/4885LMNA 568/4885
US-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL KCNH2 2680/4885SCN5A 1018/4885LMNA 294/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST KCNH2 3342/4885SCN5A 3374/4885LMNA 3755/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 KCNH2 3290/4885SCN5A 3591/4885LMNA 568/4885

“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.