SCHEMBL8208063

SCHEMBL8208063

CCC(C)c1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)NC)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
NPSR1 Q6W5P4 2/20 0.56
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.46

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
SCHEMBL8212561 0.85 TSHR (0.54) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL9891809 0.83 TSHR (0.66) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL8212617 0.81 NPC1 (0.54) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL8216616 0.81 TSHR (0.49) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL2097639 0.78 TSHR (0.68) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL9893031 0.78 TSHR (0.73) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL2097636 0.78 TSHR (0.68) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL14237971 0.77 TSHR (0.76) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL4979578 0.76 TSHR (0.60) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL8216298 0.76 PLK1 (0.51) RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 TSHR 4043/4885NPSR1 1217/4885RAB9A 1661/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF TSHR 3764/4885NPSR1 934/4885RAB9A 2283/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI TSHR 3893/4885NPSR1 1408/4885RAB9A 922/4885

“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.