SCHEMBL20615682

SCHEMBL20615682

CC(C)(C)Cn1cc(C(=O)O)nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
GGPS1 O95749 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
SCD O00767 1/20 0.35
CA5A P35218 1/20 0.35
NOTUM Q6P988 1/20 0.35
TGM2 P21980 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.33
GLA P06280 1/20 0.33
SRC P12931 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL18680934 0.84 SCD (0.50) ALDH1A1LMNANR1H4ADORA3SCD
SCHEMBL4770429 0.82 DPP4 (0.43) DPP4ALDH1A1LMNANR1H4GGPS1
SCHEMBL12197531 0.81 MGAM (0.45) ALDH1A1LMNANOTUMHPGDSMN1; SMN2
SCHEMBL6072289 0.79 ALDH1A1 (0.45) DPP4ALDH1A1LMNASCDCA5A
SCHEMBL22530280 0.77 SRC (0.53) NR1H4GGPS1SRC
SCHEMBL6071691 0.76 L3MBTL1 (0.50) DPP4ALDH1A1LMNANR1H4HPGD
SCHEMBL22576897 0.76 ALDH1A1 (0.38) DPP4ALDH1A1LMNANR1H4GLA
SCHEMBL4134269 0.76 DPP4 (0.43) DPP4ALDH1A1LMNANR1H4SCD
SCHEMBL22062686 0.75 DPP4 (0.46) DPP4ALDH1A1LMNASCDCA5A
SCHEMBL17630704 0.74 DPP4 (0.48) DPP4ALDH1A1LMNANR1H4SCD

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.