SCHEMBL6288798

SCHEMBL6288798

O=C(O)c1ccc(Cc2cnc3oc(C#CCc4ccccc4)nc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
HPGD P15428 2/20 0.37
TTR P02766 1/20 0.37
SRD5A2 P31213 4/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL6289371 0.82 MMP13 (0.40) MMP13IP6K1IP6K3IP6K2HPGD
SCHEMBL6288792 0.77 S1PR1 (0.43) MMP13IP6K1IP6K3IP6K2HPGD
SCHEMBL6292112 0.77 MMP13 (0.41) MMP13IP6K1IP6K3IP6K2SRD5A2
SCHEMBL6288955 0.73 MMP13 (0.44) MMP13IP6K1IP6K3IP6K2HPGD
SCHEMBL6698262 0.70 MMP13 (0.57) MMP13SLC22A8TSHRMEN1KMT2A
SCHEMBL6289390 0.69 HPGD (0.50) MMP13HPGDCYP2C9LMNAMEN1
Ammonia Solution, Strong SCHEMBL28313730 0.68 SRD5A2 (0.69) SRD5A2PLA2G10PLA2G2ALMNATSHR
SCHEMBL6288805 0.68 GRM2 (0.39) LMNA
SCHEMBL6193680 0.68 MMP13 (0.49) MMP13SRD5A2SLC22A8PLA2G10PLA2G2A
SCHEMBL5482345 0.67 SRD5A2 (0.71) SRD5A2PLA2G10PLA2G2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 9/4885IP6K1 3534/4885IP6K3 3888/4885

“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.