SCHEMBL6078557

SCHEMBL6078557

CCCC[Sn](CCCC)(CCCC)c1cc(C)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
FCGR1A P12314 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 5/20 0.43
HPGD P15428 3/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NTRK1 P04629 1/20 0.41
SOAT2 O75908 2/20 0.41
SOAT1 P35610 2/20 0.41
LMNA P02545 1/20 0.41
STAT1 P42224 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL29556375 0.76 POLB (0.42) CYP2C19NPC1RAB9AHPGDCNR1
SCHEMBL2389874 0.74 KMT2A (0.36) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1500668 0.71 TP53 (0.45) NPC1RAB9ACNR1CNR2SOAT2
SCHEMBL2612161 0.69 MAPK1 (0.58) MAPK1CYP1A2CYP2C19FCGR1ANPC1
SCHEMBL23161507 0.69 MAPK1 (0.61) MAPK1CYP1A2CYP2C19FCGR1ANPC1
SCHEMBL4657109 0.69 CYP19A1 (0.35)
SCHEMBL16050054 0.69 MAPK1 (0.61) MAPK1CYP1A2CYP2C19FCGR1ANPC1
SCHEMBL964125 0.68 MAPK1 (0.66) MAPK1CYP1A2CYP2C19FCGR1ANPC1
SCHEMBL1961906 0.67 MAPT (0.40) GAACNR1CNR2SOAT2SOAT1
SCHEMBL200831 0.67 MAPK1 (0.63) MAPK1CYP1A2CYP2C19FCGR1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 US disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 US disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 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-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 MAPK1 1844/4885CYP1A2 785/4885CYP2C19 438/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 MAPK1 1740/4885CYP1A2 769/4885CYP2C19 541/4885

“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.