SCHEMBL5066779

SCHEMBL5066779

CC(=O)n1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
RAPGEF4 Q8WZA2 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
RXRA P19793 1/20 0.45
PPARG P37231 1/20 0.42
HTT P42858 1/20 0.42
HCAR3 P49019 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
PLA2G4A P47712 1/20 0.41
PDE2A O00408 1/20 0.40
PDE3A Q14432 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL29746616 0.86 RAPGEF4 (0.48) RAPGEF4KDM4EHSD17B10TP53RXRA
SCHEMBL7758376 0.85 NOTUM (0.59) NOTUMCYP11B1CYP11B2KDM4EHSD17B10
SCHEMBL27375050 0.82 KDM4E (0.46) RAPGEF4KDM4EHSD17B10RXRAPPARG
SCHEMBL5068301 0.82 RAPGEF4 (0.46) NOTUMRAPGEF4KDM4EHSD17B10RXRA
SCHEMBL5069167 0.80 TSHR (0.68) NOTUMRAPGEF4KDM4EHSD17B10RXRA
SCHEMBL10837082 0.79 NOTUM (0.59) NOTUMCYP11B1CYP11B2KDM4EHSD17B10
SCHEMBL30233739 0.79 TUBB4A (0.56) RAPGEF4KDM4ERXRAHCAR3TUBB1
SCHEMBL103922 0.79 TUBB4A (0.56) RAPGEF4KDM4ERXRAHCAR3TUBB1
SCHEMBL6394140 0.79 PIK3CD (0.45) RAPGEF4KDM4EHSD17B10RXRAPPARG
SCHEMBL7758348 0.79 MAPT (0.49) NOTUMCYP11B1CYP11B2KDM4EHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
CN-100434420-C Compounds that block dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO (JP) 2008-11-19 CN disclosed
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
CN-1745063-A Compound inhibiting dipeptidyl peptidase iv SANWA KAGAKU KENKYUSHO CO (JP) 2006-03-08 CN 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 NOTUM 606/4885CYP11B1 1249/4885CYP11B2 905/4885

“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.