SCHEMBL5068337

SCHEMBL5068337

CC(=O)N1CCc2cc(C(=O)O)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.67
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
KDM4E B2RXH2 2/20 0.63
RECQL P46063 1/20 0.63
MAPT P10636 3/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP11B1 P15538 4/20 0.54
CYP11B2 P19099 4/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 1/20 0.52
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
TNF P01375 1/20 0.51
NOD2 Q9HC29 1/20 0.51

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
SCHEMBL29631031 0.92 NOTUM (0.62) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL20894496 0.92 NOTUM (0.62) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL868561 0.89 NOTUM (0.69) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL29446551 0.89 NOTUM (0.69) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL28140016 0.87 PDK1 (0.53) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL8813833 0.85 NOTUM (0.60) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL5781435 0.85 TRIM24 (0.65) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL4523697 0.85 NOTUM (0.60) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL8142053 0.84 CYP11B1 (0.61) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL28322046 0.84 PDK1 (0.51) NOTUMALDH1A1HPGDKDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO disclosed
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 (2 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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 NOTUM 2297/4885ALDH1A1 3931/4885HPGD 1856/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 NOTUM 606/4885ALDH1A1 2457/4885HPGD 2503/4885

“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.