SCHEMBL5162483

SCHEMBL5162483

O=S(=O)(Cl)CCc1cc(F)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 3/20 0.44
APLNR P35414 1/20 0.38
MC4R P32245 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
NR1H2 P55055 1/20 0.36
KCNA5 P22460 1/20 0.35
IDH2 P48735 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL756963 0.83 FFAR1 (0.45) FFAR1FFAR4PTGS2PTGS1
SCHEMBL758542 0.80 DPP4 (0.47) FFAR1FFAR4PTGS2
SCHEMBL4964464 0.74 APLNR (0.42) FFAR1FFAR4APLNRHTR2AHTR2C
SCHEMBL2238426 0.74 PTGES2 (0.46) HTR2CPTGS2PTGS1PSEN1PSEN2
SCHEMBL5123933 0.73 FFAR1 (0.49) FFAR1FFAR4KCNA5
SCHEMBL11994132 0.73 MC4R (0.46) FFAR1FFAR4MC4RHTR2AKCNA5
SCHEMBL3873206 0.72 ACLY (0.39) PTGS2PTGS1
SCHEMBL31398723 0.72 MC4R (0.46) FFAR1FFAR4MC4RPTGS2
SCHEMBL13212308 0.72 FFAR1 (0.45) FFAR1FFAR4MC4RHTR2AKCNA5
SCHEMBL2909947 0.72 FFAR1 (0.45) FFAR1FFAR4MC4RHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US disclosed
EP-1763516-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
WO-2006002763-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 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 (1 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-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS MMP9, MMP2, MMP3 FFAR1 3332/4885FFAR4 3662/4885APLNR 2015/4885

“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.