SCHEMBL552956

SCHEMBL552956

CC1(C)OB(c2cccc(CNC(=O)c3cc4ccccc4s3)c2)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.58
SENP5 Q96HI0 2/20 0.58
SENP2 Q9HC62 2/20 0.58
HDAC1 Q13547 6/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC3 O15379 2/20 0.51
NCOR2 Q9Y618 1/20 0.51
RAB9A P51151 1/20 0.50
CLK1 P49759 1/20 0.50
ACKR3 P25106 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NAMPT P43490 1/20 0.45
OPRM1 P35372 3/20 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
SCHEMBL12523750 0.79 LIPG (0.53)
SCHEMBL171732 0.79 LIPG (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL552988 0.78 ALDH1A1 (0.64) RAB9A
SCHEMBL31259610 0.77 HDAC2 (0.56) HDAC2RAB9AHDAC8HDAC6
SCHEMBL23732881 0.77 LIPG (0.51)
SCHEMBL3189084 0.77 LIPG (0.54)
SCHEMBL552898 0.76 CA1 (0.54) RAB9AACKR3
SCHEMBL5678324 0.76 NPC1 (0.51) RAB9ANAMPT
SCHEMBL25003385 0.75 HDAC2 (0.66) SENP1SENP5SENP2HDAC1HDAC2
SCHEMBL427669 0.75 MAPK1 (0.50) HDAC1HDAC3CLK1HDAC4HDAC6

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
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 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 (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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA SENP1 2054/4885SENP5 1200/4885SENP2 1136/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA SENP1 2054/4885SENP5 1200/4885SENP2 1136/4885

“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.