SCHEMBL5956794

SCHEMBL5956794

O=C(NSC1CCOc2cc(C(=O)O)ccc21)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.47
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
RAB9A P51151 4/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
PLAU P00749 1/20 0.39
TBXAS1 P24557 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ACHE P22303 1/20 0.37
NR4A2 P43354 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL5956872 1.00 TBXA2R (0.47) TBXA2RLTB4RLTB4R2RAB9ATSHR
SCHEMBL5956728 1.00 TBXA2R (0.47) TBXA2RLTB4RLTB4R2RAB9ATSHR
SCHEMBL5956484 0.91 TSHR (0.40) TBXA2RRAB9ATSHRALDH1A1NPC1
SCHEMBL5956579 0.91 TSHR (0.40) TBXA2RRAB9ATSHRALDH1A1NPC1
SCHEMBL5956842 0.91 TSHR (0.40) TBXA2RRAB9ATSHRALDH1A1NPC1
SCHEMBL5956854 0.83 TBXA2R (0.48) TBXA2RLTB4RLTB4R2RAB9ATSHR
SCHEMBL5956734 0.80 TBXAS1 (0.37) TBXA2RLTB4RLTB4R2RAB9AALDH1A1
SCHEMBL5956658 0.74 ALDH1A1 (0.44) RAB9ATSHRALDH1A1NPC1SMN1; SMN2
SCHEMBL5956732 0.71 ROCK2 (0.40) TBXA2RRAB9AALDH1A1GAAHPGD
SCHEMBL5956743 0.71 KDM4D (0.38) RAB9ATSHRALDH1A1NPC1SMN1; SMN2

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 TBXA2R 1428/4885LTB4R 1347/4885LTB4R2 857/4885

“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.