SCHEMBL5956734

SCHEMBL5956734

CC(C)(C)OC(=O)NS[C@H]1CCOc2cc(C(=O)O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
USP30 Q70CQ3 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
BCL2 P10415 1/20 0.33
BECN1 Q14457 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
TBXA2R P21731 1/20 0.33
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
RARA P10276 2/20 0.32
RARG P13631 2/20 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
SCHEMBL5956743 0.90 KDM4D (0.38) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL5956872 0.80 TBXA2R (0.47) TBXAS1MAPTLTB4RLTB4R2ALDH1A1
SCHEMBL5956728 0.80 TBXA2R (0.47) TBXAS1MAPTLTB4RLTB4R2ALDH1A1
SCHEMBL5956794 0.80 TBXA2R (0.47) TBXAS1MAPTLTB4RLTB4R2ALDH1A1
SCHEMBL803760 0.74 GAA (0.39) MAPTPTGDR2ALDH1A1MAPK1NPC1
SCHEMBL5956579 0.74 TSHR (0.40) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL5956484 0.74 TSHR (0.40) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL5956842 0.74 TSHR (0.40) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL25276135 0.72 TBXA2R (0.36) MAPTPTGDR2NPC1RAB9ATDP1
SCHEMBL25235942 0.72 TBXA2R (0.36) MAPTPTGDR2NPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 TBXAS1 2147/4885MAPT 1859/4885PTGDR2 842/4885

“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.