SCHEMBL3975170

SCHEMBL3975170

NC(=O)N(S)c1cccc(OCCCOc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
FFAR4 Q5NUL3 3/20 0.49
PPARD Q03181 4/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
C1S P09871 1/20 0.46
PRSS3 P35030 1/20 0.46
HDAC1 Q13547 6/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45

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
SCHEMBL3977185 0.97 FFAR4 (0.49) FFAR1FFAR4PPARDPPARGPPARA
SCHEMBL3978338 0.96 HDAC1 (0.50) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL3976352 0.96 HDAC1 (0.50) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL3978603 0.96 HDAC1 (0.50) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL3977090 0.94 PRSS1 (0.51) PPARDF2PLGPRSS1PRSS2
SCHEMBL3973759 0.91 MTNR1A (0.51) F2PLGPRSS1PRSS2C1S
SCHEMBL3976071 0.90 HDAC1 (0.54) FFAR1FFAR4HDAC1HDAC2HDAC3
SCHEMBL3975780 0.90 MTNR1A (0.53) F2PLGPRSS1PRSS2C1S
SCHEMBL3978617 0.90 MTNR1A (0.53) F2PLGPRSS1PRSS2C1S
SCHEMBL3982083 0.90 MTNR1A (0.53) F2PLGPRSS1PRSS2C1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 FFAR1 4224/4885FFAR4 3904/4885PPARD 2878/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 FFAR1 4071/4885FFAR4 4050/4885PPARD 3178/4885

“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.