SCHEMBL17696754

SCHEMBL17696754

NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 10/20 0.65
CA1 P00915 2/20 0.57
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
FPR2 P25090 1/20 0.56
CTSL P07711 1/20 0.56
PTPN1 P18031 3/20 0.56
CA2 P00918 2/20 0.54
MCL1 Q07820 1/20 0.51

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
SCHEMBL8513782 0.89 FPR2 (0.70) CA1CA12CA9FPR2CTSL
SCHEMBL8513785 0.89 FPR2 (0.70) CA1CA12CA9FPR2CTSL
SCHEMBL20277616 0.87 HPGDS (0.71) HPGDSCA1CA12CA9CTSL
SCHEMBL17244326 0.87 HPGDS (0.71) HPGDSCA1CA12CA9CTSL
SCHEMBL27002688 0.86 HPGDS (0.65) HPGDSCA1CA12CA9CTSL
SCHEMBL2105972 0.86 HPGDS (0.65) HPGDSCA1CA12CA9CTSL
SCHEMBL12320657 0.83 HPGDS (0.64) HPGDSCA1CA12CA9PTPN1
SCHEMBL27695921 0.83 HPGDS (0.65) HPGDSCA1CA12CA9CTSL
SCHEMBL4684065 0.83 HPGDS (0.65) HPGDSCA1CA12CA9CTSL
SCHEMBL5926493 0.83 PTPN1 (0.62) CA1FPR2CTSLPTPN1CA2

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-9463451-B2 Ligand, metal complex containing ligand, and reaction using metal complex containing ligand NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-10-11 US disclosed
US-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-04-21 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-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND HRH3, HRH2, HRH4 HPGDS 3511/4885CA1 2545/4885CA12 3091/4885

“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.