SCHEMBL13267656

SCHEMBL13267656

CCC(=O)c1cc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALAD P13716 2/20 0.66
CHRNA7 P36544 6/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CNR1 P21554 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PRKCZ Q05513 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.38
GSK3B P49841 2/20 0.38
IKBKB O14920 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ULK1 O75385 1/20 0.38

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
SCHEMBL27794744 0.84 ALAD (0.66) ALADHDAC6PRKCZMAPTSMN1; SMN2
SCHEMBL27688659 0.83 HDAC6 (0.57) ALADCNR1ADORA3HDAC6MAPT
SCHEMBL15177354 0.81 ALAD (0.72) ALADCNR1HDAC6MAPTSMN1; SMN2
SCHEMBL27375958 0.80 ALAD (0.42) ALADHDAC6IKBKB
SCHEMBL27773427 0.80 HDAC6 (0.47) ALADCHRNA7HDAC6L3MBTL1GSK3B
SCHEMBL2652069 0.80 ALAD (1.00) ALADCNR1HDAC6SMN1; SMN2
SCHEMBL10513732 0.79 GSK3B (0.44) ALADCCNCCDK8MAPTSMN1; SMN2
SCHEMBL13267782 0.79 MMP12 (0.47) ALADHDAC6MAPTSMN1; SMN2L3MBTL1
SCHEMBL24176394 0.78 ALAD (0.72) ALADCNR1HDAC6MAPTIKBKB
SCHEMBL13267845 0.78 ALAD (0.40) ALADADORA3HDAC6MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 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-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALAD 1681/4885CHRNA7 4863/4885CCNC 2332/4885

“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.