SCHEMBL2607773

SCHEMBL2607773

CC(C)c1cnc2c(c1)OCCCO2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.36
CTRC Q99895 1/20 0.36
OGA O60502 2/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NTRK1 P04629 1/20 0.31
USP9X Q93008 2/20 0.31

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
SCHEMBL16077532 0.93 PTGS1 (0.37) KLK7CTRCPTGS1PTGS2NTRK1
SCHEMBL16077536 0.82 MPO (0.36) OGA
SCHEMBL14480216 0.79 PTGS1 (0.35) PTGS1PTGS2NTRK1USP9X
SCHEMBL21603284 0.79 PTGS1 (0.35) PTGS1PTGS2NTRK1USP9X
SCHEMBL21603239 0.79 PTGS1 (0.38) OGAPTGS1PTGS2NTRK1USP9X
SCHEMBL16077528 0.78 OGA (0.34) KLK7CTRCOGAPTGS1PTGS2
SCHEMBL15070829 0.78 SYK (0.36) OGA
SCHEMBL10175642 0.77 NPC1 (0.33) USP9X
SCHEMBL20803906 0.74 GRM5 (0.42)
SCHEMBL23437847 0.74 OGA (0.35) OGAUSP9X

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-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KLK7 3752/4885CTRC 3593/4885OGA 530/4885

“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.