SCHEMBL4968779

SCHEMBL4968779

CCCC[Sn](C=CC(C)(C)O)(CCCC)CCCC

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4968770 1.00 GMNN (0.30) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL4245758 0.82
SCHEMBL4245756 0.82
SCHEMBL11063133 0.80 FDPS (0.33) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL11063178 0.80 FDPS (0.33) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL6810644 0.78
SCHEMBL6810647 0.78
SCHEMBL7773897 0.76
SCHEMBL7773893 0.76
SCHEMBL725620 0.75 TSHR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034015-B2 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2006-04-25 US claimed
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2003-06-26 US claimed
US-20080261975-A1 Tec Kinase Inhibitors BENTZIEN JOERG MARTIN 2008-10-23 US disclosed
EP-1957491-A2 PYRROLO (2,3-B) PYRIDINE DERIVATIVES USEFUL AS TEC KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-20 EP disclosed
WO-2007058832-A2 PYRROLO (2, 3-B) PYRIDINE DERIVATIVES USEFUL AS TEC KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-24 WO disclosed
US-7034015-B2 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2006-04-25 US disclosed
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2003-06-26 US 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-20080261975-A1 Tec Kinase Inhibitors TEC, ITK, LCK GMNN 4359/4885USP2 4282/4885CYP1A2 2887/4885
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors IL1B, IL1A, TNF GMNN 4212/4885USP2 2295/4885CYP1A2 1501/4885

“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.