SCHEMBL87253

SCHEMBL87253

CCCCOc1c(C(=O)OC)nc2n(c1=O)CC1CCC2(OCCOC)CC1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.31
MMP13 P45452 2/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
CNR2 P34972 1/20 0.30
CRBN Q96SW2 1/20 0.30
MMP1 P03956 1/20 0.30
ADAM17 P78536 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL51673 0.86 LMNA (0.38) CNR2SLC6A5ALDH1A1
SCHEMBL87206 0.85 HSD17B10 (0.31)
SCHEMBL86884 0.82 L3MBTL1 (0.33)
SCHEMBL13691452 0.81 HPGD (0.32) MMP9MMP13MMP2MMP3MMP8
SCHEMBL51826 0.71 OGFRL1 (0.35) ALDH1A1
SCHEMBL52189 0.69 OGFRL1 (0.32)
SCHEMBL53152 0.68 HPGD (0.38)
SCHEMBL13691670 0.67 ADORA2A (0.30)
SCHEMBL13691683 0.67 HPGD (0.32) ALDH1A1
SCHEMBL12875329 0.65 GAA (0.34) CNR2ALDH1A1

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG MMP9 524/4885MMP13 4137/4885MMP2 1882/4885

“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.