SCHEMBL4172003

SCHEMBL4172003

O=C(C(=O)N1CCSCC1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.39
FAAH O00519 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
DPP4 P27487 3/20 0.38
KCNH2 Q12809 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DPP8 Q6V1X1 1/20 0.35

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
SCHEMBL9717393 0.84 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL4840666 0.84 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8024247 0.84 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL4261207 0.84 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8288869 0.81 ALDH1A1 (0.56) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL30557816 0.79 FAAH (0.42) ALDH1A1HPGDFAAHPHGDHMGLL
SCHEMBL11889662 0.78 ALDH1A1 (0.58) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL6948209 0.77 FAAH (0.41) ALDH1A1HPGDFAAHPHGDHMGLL
SCHEMBL1056953 0.76 CA2 (0.46) ALDH1A1HPGDFAAHPHGDHMGLL
SCHEMBL7442701 0.76 SMN1; SMN2 (0.46) HPGDMMP1MMP3DPP4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 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 (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-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP ALDH1A1 1897/4885HPGD 2262/4885FAAH 686/4885

“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.