SCHEMBL851554

SCHEMBL851554

CCOC(=O)c1cc(OCc2cccc(C#N)c2)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
FFAR4 Q5NUL3 1/20 0.52
MAOB P27338 3/20 0.47
RAB9A P51151 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46
GRM5 P41594 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
SMPD1 P17405 1/20 0.44
ALKBH1 Q13686 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL851619 0.90 RAB9A (0.58) FFAR1MAOBRAB9ASPHK2SPHK1
SCHEMBL851518 0.87 MAOB (0.56) FFAR1MAOBRAB9ACYP11B1CYP11B2
SCHEMBL851730 0.85 FFAR1 (0.60) FFAR1FFAR4MAOBMRGPRX4CYP11B1
SCHEMBL851271 0.85 PARP15 (0.53) RAB9ACYP11B1CYP11B2PKMSMN1; SMN2
SCHEMBL851304 0.84 HDAC1 (0.42) FFAR1FFAR4RAB9AMRGPRX4CYP11B1
SCHEMBL851273 0.83 PPARG (0.49) FFAR1MAOB
SCHEMBL851305 0.83 FFAR1 (0.41) FFAR1FFAR4MAOBRAB9AMRGPRX4
SCHEMBL852068 0.82 ST14 (0.49) RAB9ACYP11B1CYP11B2PKMSMN1; SMN2
SCHEMBL8513184 0.81 F10 (0.50) GRM5
SCHEMBL851126 0.81 CA12 (0.56) RAB9ACYP11B1CYP11B2TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 FFAR1 3640/4885FFAR4 4056/4885MAOB 187/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 FFAR1 3640/4885FFAR4 4056/4885MAOB 187/4885

“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.