SCHEMBL5070870

SCHEMBL5070870

O=C(O)NCCC(=O)N1CCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.72
NOTUM Q6P988 5/20 0.69
MAPT P10636 5/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
HSD17B10 Q99714 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
MAPK1 P28482 2/20 0.63
TP53 P04637 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
ALDH1A1 P00352 3/20 0.61
POLB P06746 1/20 0.60
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL25333331 0.85 TSHR (0.67) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL31650229 0.82 NOTUM (1.00) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL2278917 0.82 NOTUM (1.00) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL6228405 0.80 TSHR (0.84) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL308295 0.80 NOTUM (0.74) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL7339766 0.79 NOTUM (0.83) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL4637311 0.79 TSHR (0.81) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL20957050 0.79 TSHR (0.81) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL16220559 0.79 TSHR (0.81) TSHRNOTUMMAPTKMT2AMEN1
SCHEMBL31222353 0.79 TSHR (0.81) TSHRNOTUMMAPTKMT2AMEN1

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
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 TSHR 641/4885NOTUM 606/4885MAPT 4195/4885

“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.