SCHEMBL5956484

SCHEMBL5956484

COC(=O)c1ccc2c(c1)OCCC2SNC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
HPGD P15428 4/20 0.40
TBXA2R P21731 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 5/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.38
CYP3A4 P08684 3/20 0.38
LMNA P02545 1/20 0.38
PLAU P00749 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5956842 1.00 TSHR (0.40) TSHRHPGDTBXA2RALDH1A1MAPK1
SCHEMBL5956579 1.00 TSHR (0.40) TSHRHPGDTBXA2RALDH1A1MAPK1
SCHEMBL5956728 0.91 TBXA2R (0.47) TSHRHPGDTBXA2RALDH1A1MAPT
SCHEMBL5956794 0.91 TBXA2R (0.47) TSHRHPGDTBXA2RALDH1A1MAPT
SCHEMBL5956872 0.91 TBXA2R (0.47) TSHRHPGDTBXA2RALDH1A1MAPT
SCHEMBL5956658 0.84 ALDH1A1 (0.44) TSHRHPGDALDH1A1MAPTRAB9A
SCHEMBL5956743 0.81 KDM4D (0.38) TSHRHPGDALDH1A1MAPK1MAPT
SCHEMBL5956793 0.77 SMN1; SMN2 (0.40) TSHRHPGDALDH1A1MAPK1MAPT
SCHEMBL5956765 0.77 SMN1; SMN2 (0.40) TSHRHPGDALDH1A1MAPK1MAPT
SCHEMBL5956601 0.77 SMN1; SMN2 (0.40) TSHRHPGDALDH1A1MAPK1MAPT

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 TSHR 1443/4885HPGD 816/4885TBXA2R 1428/4885

“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.