SCHEMBL20615481

SCHEMBL20615481

CCC(C)Cn1cc(C(=O)O)nn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
GLS O94925 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
HCAR3 P49019 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL22062686 0.85 DPP4 (0.46) DPP4ALDH1A1LMNAMGAMGAA
SCHEMBL4780340 0.83 DPP4 (0.42) DPP4ALDH1A1LMNAMGAMGAA
SCHEMBL6072289 0.79 ALDH1A1 (0.45) DPP4ALDH1A1LMNAGAAMAPK1
SCHEMBL20364767 0.78 DPP4 (0.39) DPP4ALDH1A1LMNAMGAMGAA
SCHEMBL31124067 0.78 DPP4 (0.49) DPP4ALDH1A1LMNAMGAMGAA
SCHEMBL6071691 0.76 L3MBTL1 (0.50) DPP4ALDH1A1LMNAGLSHCAR3
SCHEMBL19050263 0.74 DPP4 (0.43) DPP4GLS
SCHEMBL19956575 0.74 TSHR (0.39) DPP4ALDH1A1LMNATSHRGPR88
SCHEMBL6072137 0.73 DPP4 (0.45) DPP4ALDH1A1LMNAGLSHCAR3
SCHEMBL18625977 0.73 CYP19A1 (0.55) MGAMGAASIMGAM2MEN1

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-10676467-B2 Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof WASHINGTON UNIVERSITY (US) 2020-06-09 US disclosed
US-20190002450-A1 COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2019-01-03 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 (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-20190002450-A1 COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND METHODS OF USE THEREOF S1PR1, S1PR2, S1PR3 DPP4 3394/4885ALDH1A1 4353/4885LMNA 1365/4885
US-10676467-B2 Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof S1PR1, S1PR2, S1PR3 DPP4 3394/4885ALDH1A1 4353/4885LMNA 1365/4885

“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.