SCHEMBL4199969

SCHEMBL4199969

CCc1[c]c(C)cc(S(C)(=O)=O)c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 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
SCHEMBL4195405 0.83 CA2 (0.41)
SCHEMBL1638765 0.81 ENPP2 (0.37) PTGS2
SCHEMBL4188466 0.80 SMN1; SMN2 (0.40)
SCHEMBL4194870 0.80 LMNA (0.36)
SCHEMBL28776141 0.79 LOX (0.34)
SCHEMBL4201462 0.79 LMNA (0.40)
SCHEMBL15553924 0.72 PTGS2 (0.35) PTGS2
SCHEMBL466431 0.70 NOS3 (0.31)
SCHEMBL6242628 0.69 LCK (0.39)
SCHEMBL509622 0.69 PTGS2 (0.32) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309735-B2 Heterocyclic compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2012-11-13 US claimed
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US claimed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US claimed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP claimed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO claimed
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 US disclosed
US-8309735-B2 Heterocyclic compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2012-11-13 US disclosed
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US disclosed
EP-2024357-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jereni AG (DE) 2009-02-18 EP disclosed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP disclosed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO disclosed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 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 (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-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 PTGS2 1760/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 PTGS2 1276/4885

“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.