SCHEMBL15601969

SCHEMBL15601969

CNC(=O)N[C@@H](CCO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.50
NAALAD2 Q9Y3Q0 5/20 0.50
RIMKLA Q8IXN7 1/20 0.50
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.39
FPR2 P25090 1/20 0.38
TGFBR1 P36897 2/20 0.37

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
SCHEMBL15612826 0.83 TGFBR1 (0.53) FOLH1NAALAD2RIMKLALMNAMEN1
SCHEMBL13753737 0.82 FOLH1 (0.77) FOLH1NAALAD2RIMKLA
SCHEMBL24455554 0.82 FOLH1 (0.77) FOLH1NAALAD2RIMKLA
SCHEMBL15592826 0.82 ALDH1A1 (0.63) FOLH1NAALAD2RIMKLALMNAMEN1
SCHEMBL21335970 0.79 CA1 (0.34) KMT2A
SCHEMBL468749 0.78 SMN1; SMN2 (0.59) FOLH1NAALAD2RIMKLAALDH1A1MAPT
SCHEMBL468750 0.78 SMN1; SMN2 (0.59) FOLH1NAALAD2RIMKLAALDH1A1MAPT
SCHEMBL5125262 0.78 FOLH1 (0.47) FOLH1NAALAD2RIMKLALMNAMEN1
SCHEMBL4745785 0.78
SCHEMBL21621515 0.78

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-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 FOLH1 2667/4885NAALAD2 3363/4885RIMKLA 1678/4885

“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.