SCHEMBL6386283

SCHEMBL6386283

O=C(CNC(=O)OCc1ccc(-c2ccccc2)cc1)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HDAC2 Q92769 2/20 0.52
PRSS1 P07477 1/20 0.52
TPSAB1 Q15661 1/20 0.52
TPSD1 Q9BZJ3 1/20 0.52
TPSG1 Q9NRR2 1/20 0.52
EPHX1 P07099 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP14 P50281 1/20 0.52
ADAM17 P78536 1/20 0.52
HDAC1 Q13547 1/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL6387882 0.87 HTT (0.57) HDAC2PRSS1TPSAB1EPHX1SMN1; SMN2
SCHEMBL31550495 0.78 ALDH1A1 (0.62) ALDH1A1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL30440860 0.77 ALDH1A1 (0.60) ALDH1A1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL8323868 0.77 ALDH1A1 (0.60) ALDH1A1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL5873775 0.77 ALDH1A1 (0.60) ALDH1A1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL8178335 0.77 ALDH1A1 (0.60) ALDH1A1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL8149664 0.77 PRSS1 (0.73) ALDH1A1HDAC2PRSS1TPSAB1TPSD1
SCHEMBL8426731 0.77 ALDH1A1 (0.60) ALDH1A1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL504661 0.77 ALDH1A1 (0.60) ALDH1A1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL1722710 0.77 ALDH1A1 (0.60) ALDH1A1PRSS1TPSAB1TPSD1TPSG1

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-20050119305-A1 Il-6 production inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-02 US claimed
US-20050119305-A1 Il-6 production inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-02 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-20050119305-A1 Il-6 production inhibitors IL6, IL6ST, PADI6 ALDH1A1 441/4885HDAC2 2783/4885PRSS1 1858/4885

“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.