SCHEMBL480440

SCHEMBL480440

COc1cncc(-c2ccc(C(C)(c3ccc(-c4noc(COS(C)(=O)=O)n4)cn3)C(C)C)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.55
MAPT P10636 9/20 0.41
TSHR P16473 5/20 0.39
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
GSTP1 P09211 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35

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
SCHEMBL480248 0.87 ALOX5AP (0.57) ALOX5APMAPTTSHRNPY1RNPY2R
SCHEMBL480217 0.87 ALOX5AP (0.60) ALOX5APMAPTTSHRNPY1RNPY2R
SCHEMBL480260 0.82 ALOX5AP (0.53) ALOX5APMAPTTSHRALDH1A1POLB
SCHEMBL480195 0.82 ALOX5AP (0.52) ALOX5APMAPTTSHRALDH1A1POLB
SCHEMBL480274 0.81 ALOX5AP (0.51) ALOX5APMAPTTSHRALDH1A1LMNA
SCHEMBL480250 0.81 ALOX5AP (0.58) ALOX5APMAPTCA2CA9SMN1; SMN2
SCHEMBL480146 0.81 ALOX5AP (0.66) ALOX5APMAPTCA2CA9SMN1; SMN2
SCHEMBL480247 0.81 ALOX5AP (0.66) ALOX5APMAPTCA2CA9SMN1; SMN2
SCHEMBL480391 0.80 ALOX5AP (0.53) ALOX5APMAPTTSHRALDH1A1POLB
SCHEMBL13262106 0.80 ALOX5AP (0.51) ALOX5APMAPTTSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 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 (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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 14/4885MAPT 4793/4885TSHR 4425/4885

“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.