SCHEMBL8257939

SCHEMBL8257939

CCCCOC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1)C(C)CC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.45
▸ FAP Q12884 1/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45
▸ ACE P12821 2/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ FKBP1A P62942 3/20 0.41
▸ F2RL1 P55085 1/20 0.41
▸ NTSR2 O95665 7/20 0.40
▸ NTSR1 P30989 7/20 0.40
▸ SORT1 Q99523 7/20 0.40

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
SCHEMBL8117318 0.89 SLC6A2 (0.49) DPP4FAPDPP8DPP9DPP7
SCHEMBL5275743 0.87 DPP4 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL5275753 0.87 DPP4 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL8366873 0.79 SLC6A2 (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL30112895 0.77 SLC6A2 (0.57) ACESLC6A2NTSR2NTSR1SORT1
SCHEMBL28256389 0.76 ACE (0.60) ACEACE2SLC6A2
SCHEMBL30052918 0.76 ACE (0.60) ACEACE2SLC6A2
SCHEMBL6261419 0.75 DPP4 (0.56) DPP4FAPDPP8DPP9DPP7
SCHEMBL15373369 0.75 POLB (0.44) ACEACE2ELANEFKBP1A
SCHEMBL8103315 0.74 NTSR1 (0.49) NTSR2NTSR1SORT1

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
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 — — WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 — — US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 — — 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 DPP4 2557/4885FAP 2626/4885DPP8 2126/4885

“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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