SCHEMBL19177183

SCHEMBL19177183

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ TNF P01375 1/20 0.41

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
SCHEMBL17446655 0.92 HDAC1 (0.50) PTPN1SLC17A5HDAC1HDAC2
SCHEMBL17446653 0.84 PTPN1 (0.48) PTPN1HDAC1HDAC2TNF
SCHEMBL29480470 0.84 CTSK (0.57) PTPN1
SCHEMBL29715771 0.83 PTPN1 (0.46) PTPN1HDAC1HDAC2TNF
SCHEMBL17446656 0.83 PTPN1 (0.46) PTPN1HDAC1HDAC2TNF
SCHEMBL17446645 0.83 HDAC1 (0.57) SLC17A5HDAC1HDAC2TNF
SCHEMBL23811018 0.82 KMT2A (0.52) HDAC1HDAC2TNF
SCHEMBL13716720 0.81 SLC17A5 (0.53) PTPN1SLC17A5HDAC1HDAC2TNF
SCHEMBL29480487 0.80 CTSK (0.51) PTPN1HDAC1HDAC2TNF
SCHEMBL17446669 0.79 HDAC1 (0.49) PTPN1SLC17A5HDAC1HDAC2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 — — 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-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 PTPN1 2412/4885SLC17A5 3191/4885HDAC1 747/4885

“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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