SCHEMBL4887077

SCHEMBL4887077

NCCCCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CC2(C(N)=O)CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.45
▸ SSTR3 P32745 1/20 0.44
▸ CTSB P07858 1/20 0.43
▸ CALCRL Q16602 1/20 0.41
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CPB2 Q96IY4 2/20 0.38
▸ PDF Q9HBH1 1/20 0.38
▸ RORC P51449 1/20 0.37

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
SCHEMBL4885605 0.90 KDM1A (0.47) PLGSSTR3CALCRLITGB1ITGA4
SCHEMBL4884651 0.87 NTMT1 (0.46) PLGSSTR3CALCRLITGB1ITGA4
SCHEMBL4879319 0.82 F7 (0.43) PLGSSTR3ITGB1ITGA4KLKB1
SCHEMBL4886967 0.81 CHRNB2 (0.47) PLGCALCRL
SCHEMBL4887082 0.79 PLG (0.50) PLGSSTR3KLKB1HDAC1CPB2
SCHEMBL4888152 0.78 MME (0.49) —
SCHEMBL4887070 0.78 PLG (0.55) PLGCTSBKLKB1HDAC1CPB2
SCHEMBL4887057 0.74 TDP1 (0.38) PLGCTSBCALCRLITGB1ITGA4
SCHEMBL4885602 0.72 PLG (0.54) PLGCTSBKLKB1HDAC1CPB2
SCHEMBL4885609 0.72 CPB2 (0.51) PLGSSTR3KLKB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 — — US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 — — 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 PLG 3666/4885SSTR3 3679/4885CTSB 1465/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH PLG 551/4885SSTR3 4637/4885CTSB 1035/4885

“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.

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