SCHEMBL4046192

SCHEMBL4046192

CC(C)(C)c1ccc(C(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)Cc3cccnc3)CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SMYD3 Q9H7B4 2/20 0.38
CTSK P43235 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
GPR132 Q9UNW8 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
FKBP1A P62942 1/20 0.34
SLC2A1 P11166 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL4043452 0.89 GPR132 (0.42) SMYD3GPR132FKBP1ANAMPT
SCHEMBL4038260 0.88 CTSK (0.38) LMNAALDH1A1MAPTHTTSMYD3
SCHEMBL4043534 0.87 CTSK (0.39) LMNAALDH1A1MAPTHTTCTSK
SCHEMBL4040909 0.87 GPR132 (0.36) ALDH1A1SMYD3GPR132
SCHEMBL4041121 0.86 ALDH1A1 (0.40) LMNAALDH1A1HTTCTSKSMN1; SMN2
SCHEMBL4037636 0.86 CTSK (0.42) LMNAALDH1A1MAPTHTTCTSK
SCHEMBL6241118 0.82 CHRNB2 (0.45) LMNAHTTSMYD3SMN1; SMN2KMT2A
SCHEMBL4047319 0.81 CTSK (0.42) LMNAALDH1A1HTTSMYD3CTSK
SCHEMBL4046440 0.81 FKBP1A (0.40) SMYD3FKBP1ANAMPT
SCHEMBL4040613 0.81 CTSK (0.61) LMNAALDH1A1MAPTHTTSMYD3

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS LMNA 3686/4885ALDH1A1 4151/4885MAPT 3367/4885

“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.