SCHEMBL5956884

SCHEMBL5956884

COC(=O)c1ccc2c(c1C)SCC[C@@H]2N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 5/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HTR5A P47898 1/20 0.34
PDK2 Q15119 2/20 0.33
PDK4 Q16654 2/20 0.33
ABL1 P00519 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
SCHEMBL5956737 1.00 PTGER4 (0.42) PTGER4MEN1KMT2AALDH1A1GAA
SCHEMBL5956888 0.85 PTGER4 (0.40) PTGER4MEN1KMT2AALDH1A1MAPT
SCHEMBL5956528 0.85 PTGER4 (0.40) PTGER4MEN1KMT2AALDH1A1MAPT
SCHEMBL7994474 0.80 PTGER4 (0.39) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL2853655 0.77 TYK2 (0.43) TSHRHTTSMN1; SMN2
SCHEMBL4451721 0.77 TYK2 (0.43) TSHRHTTSMN1; SMN2
SCHEMBL4995159 0.76 ACHE (0.48) PTGER4MEN1KMT2AALDH1A1GAA
SCHEMBL30574254 0.76 PTGER4 (0.39) PTGER4MEN1KMT2AALDH1A1GAA
SCHEMBL7993980 0.76 PTGER4 (0.39) PTGER4MEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL5956575 0.76 TYK2 (0.42) TSHRHTTSMN1; 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 PTGER4 2079/4885MEN1 2543/4885KMT2A 1253/4885

“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.