SCHEMBL16790380

SCHEMBL16790380

COC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ SIRT3 Q9NTG7 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ FOLH1 Q04609 2/20 0.48
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47

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
SCHEMBL31488205 0.91 KLK7 (0.49) KMT2AHDAC1HDAC2
SCHEMBL17444823 0.88 KLK7 (0.53) CA1CA2KMT2ASIRT2SIRT1
SCHEMBL17446690 0.86 PTPN1 (0.56) KMT2AHDAC1HDAC2
SCHEMBL29370715 0.85 FOLH1 (0.62) KMT2ASIRT2SIRT1HDAC1HDAC2
SCHEMBL22804067 0.85 FOLH1 (0.62) KMT2ASIRT2SIRT1HDAC1HDAC2
SCHEMBL8823890 0.85 FOLH1 (0.62) KMT2ASIRT2SIRT1HDAC1HDAC2
SCHEMBL29401850 0.85 FOLH1 (0.62) KMT2ASIRT2SIRT1HDAC1HDAC2
SCHEMBL178815 0.85 FOLH1 (0.62) KMT2ASIRT2SIRT1HDAC1HDAC2
SCHEMBL178700 0.85 FOLH1 (0.62) KMT2ASIRT2SIRT1HDAC1HDAC2
SCHEMBL31624479 0.85 FOLH1 (0.62) KMT2ASIRT2SIRT1HDAC1HDAC2

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-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 — — US disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 — — US disclosed
WO-2015081891-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-06-11 — — 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-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD CA1 587/4885CA2 860/4885KMT2A 3057/4885

“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.

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