SCHEMBL17951660

SCHEMBL17951660

CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.43
▸ FAP Q12884 2/20 0.43
▸ PPID Q08752 3/20 0.41
▸ PPIG Q13427 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ACE P12821 3/20 0.39
▸ REN P00797 1/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL16557291 0.90 PPID (0.42) PREPFAPPPIDPPIGLMNA
SCHEMBL21348091 0.80 ACE2 (0.48) PREPFAPLMNAACEREN
SCHEMBL30051731 0.78 REN (0.47) LMNAACEREN
SCHEMBL23572657 0.78 APLNR (0.39) PPIDPPIGTSHR
SCHEMBL23600801 0.78 APLNR (0.39) PPIDPPIGTSHR
SCHEMBL23572656 0.78 APLNR (0.39) PPIDPPIGTSHR
SCHEMBL30051518 0.77 ACE (0.46) LMNAACERENTSHR
SCHEMBL30051793 0.77 ACE (0.49) LMNAACEREN
SCHEMBL1371104 0.76 OPRM1 (0.44) —
SCHEMBL23572622 0.76 CXCL8 (0.48) ACEREN

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-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2016-07-28 — — 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-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS FPR1, FPR3, FPR2 PREP 381/4885FAP 1176/4885PPID 2528/4885

“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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