SCHEMBL10070944

SCHEMBL10070944

CCCCOc1c(C(=O)OC)nc2c(N(C)S(C)(=O)=O)cc(Br)cn2c1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.34
MMP1 P03956 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34
MMP2 P08253 1/20 0.33
CYP19A1 P11511 3/20 0.33
KMT2A Q03164 1/20 0.33
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL10070046 0.91 THRA (0.33) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL369106 0.85 CYP19A1 (0.42) MMP9MMP13ADAM17CYP19A1KMT2A
SCHEMBL12894144 0.83 MAPT (0.36) KMT2A
SCHEMBL15101373 0.82 MET (0.30)
SCHEMBL10069877 0.82 THRA (0.34) THRATHRB
SCHEMBL10070422 0.76 TLR7 (0.31)
SCHEMBL10070426 0.76 ALDH1A1 (0.35)
SCHEMBL10069879 0.75 TYK2 (0.32)
SCHEMBL10071008 0.75 ALDH1A1 (0.33) MMP9MMP1MMP13ADAM17KMT2A
SCHEMBL10069908 0.74 KDM4E (0.32) THRATHRB

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-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 MMP9 2836/4885MMP1 3191/4885MMP13 3351/4885

“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.