SCHEMBL6418757

SCHEMBL6418757

CCC(NC)(C(=O)O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
BLM P54132 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 1/20 0.40
ADRB3 P13945 1/20 0.40
OPRK1 P41145 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL7828236 0.77 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1PTGS2TDP1TSHR
SCHEMBL14306296 0.76 KCNN4 (0.43) L3MBTL1TSHRALDH1A1LMNAHTT
SCHEMBL4450821 0.76 KCNN4 (0.43) L3MBTL1TSHRALDH1A1LMNAHTT
SCHEMBL25500507 0.76 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1PTGS2TDP1TSHR
SCHEMBL3743980 0.76 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1PTGS2TDP1TSHR
SCHEMBL3583878 0.76 ANO1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL13269728 0.74 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1PTGS2TDP1TSHR
SCHEMBL3952267 0.74 GAA (0.43) SMN1; SMN2TDP1TSHRBLMSLC22A2
SCHEMBL27807473 0.74 ALDH1A1 (0.41) SMN1; SMN2ALOX15ALDH1A1LMNA
SCHEMBL8663974 0.73 SGMS2 (0.43) SMN1; SMN2L3MBTL1TSHRALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1835948-B 2-acylaminothiazole derivative or its salt YAMANOUCHI PHARMA CO LTD 2010-05-26 CN claimed
CN-1835948-A 2-acylaminothiazole derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-09-20 CN claimed
CN-113423702-A N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use in the treatment of disease 诺华股份有限公司 2021-09-21 CN disclosed
CN-1835948-B 2-acylaminothiazole derivative or its salt YAMANOUCHI PHARMA CO LTD 2010-05-26 CN disclosed
CN-1835948-A 2-acylaminothiazole derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-09-20 CN disclosed
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
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 (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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 SMN1; SMN2 4118/4885L3MBTL1 4279/4885PTGS2 922/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST SMN1; SMN2 3997/4885L3MBTL1 4620/4885PTGS2 1687/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 SMN1; SMN2 4118/4885L3MBTL1 4279/4885PTGS2 922/4885

“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.