SCHEMBL19429764

SCHEMBL19429764

O=C(NCC(=O)N1CCC[C@@H]1C(F)(F)F)NCc1ccc2c(c1)OC[C@@H](O)N2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 14/20 0.44
▸ PPIG Q13427 5/20 0.39
▸ PPIB P23284 4/20 0.39
▸ SCD5 Q86SK9 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL19429924 0.88 PPID (0.45) PPIDPPIGPPIBMEN1POLB
SCHEMBL19429983 0.88 PPID (0.45) PPIDPPIGPPIBMEN1POLB
SCHEMBL19423713 0.84 PPID (0.53) PPIDPPIGPPIB
SCHEMBL19430068 0.84 PPID (0.49) PPIDPPIGPPIB
SCHEMBL19423809 0.84 PPID (0.49) PPIDPPIGPPIB
SCHEMBL19423582 0.82 PPID (0.53) PPIDPPIBMEN1POLBKMT2A
SCHEMBL19423760 0.80 PPID (0.49) PPIDPPIGPPIB
SCHEMBL19429765 0.80 PPID (0.50) PPIDPPIGPPIB
SCHEMBL19410034 0.79 PPID (0.68) PPIDPPIGPPIB
SCHEMBL19410011 0.79 PPID (0.68) PPIDPPIGPPIB

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-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — 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-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 PPID 17/4885PPIG 1/4885PPIB 15/4885

“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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