SCHEMBL5025501

SCHEMBL5025501

O=C(O)CSCCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.69
MMP13 P45452 1/20 0.69
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SLC6A3 Q01959 1/20 0.57
CES1 P23141 1/20 0.54
CA2 P00918 1/20 0.54
MAPT P10636 2/20 0.53

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
SCHEMBL709703 0.94 MMP12 (0.67) MMP12MMP13HDAC3HDAC1HDAC2
SCHEMBL29308029 0.93 MMP12 (0.65) MMP12MMP13HDAC3HDAC1HDAC2
SCHEMBL4574068 0.90 MMP12 (0.82) MMP12MMP13HDAC3HDAC1HDAC2
SCHEMBL7455672 0.89 CES1 (0.54) MMP12MMP13HDAC3HDAC1HDAC2
SCHEMBL5017273 0.85 MMP12 (0.51) MMP12MMP13SMN1; SMN2CES1MAPT
SCHEMBL8527471 0.83 MMP12 (0.58) MMP12MMP13HDAC3HDAC1HDAC2
SCHEMBL19438707 0.83 SIGMAR1 (0.59) MMP12MMP13
SCHEMBL577035 0.81 CA2 (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18488258 0.79 MMP12 (0.53) MMP12MMP13SMN1; SMN2MAPTTSHR
SCHEMBL11449287 0.79 ALOX5 (0.52) MMP12MMP13SMN1; SMN2CES1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 WO disclosed
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed
EP-0685466-A1 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives CIBA-GEIGY AG (CH) 1995-12-06 EP 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R MMP12 983/4885MMP13 667/4885HDAC3 1425/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 MMP12 416/4885MMP13 1337/4885HDAC3 112/4885

“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.