SCHEMBL3243340

SCHEMBL3243340

O=S(=O)(CCc1ccccc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
EPHX2 P34913 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8318918 0.90 MMP13 (0.49) EPHX1MMP1MMP8MMP12MMP13
SCHEMBL3244251 0.81 HPGD (0.54) USP2HPGDHSD17B10CA2MMP1
SCHEMBL21234184 0.79 HPGD (0.51) USP2HPGDHSD17B10CA2MMP1
SCHEMBL3697852 0.75 TBXAS1 (0.55) EPHX1HSD17B10TAAR1EPHX2NPC1
SCHEMBL6401384 0.74 TAAR1 (0.52) HSD17B10TAAR1MMP1MMP7MMP8
SCHEMBL6807787 0.71 KDM4E (0.36) CA2MMP1MMP7MMP8MMP12
SCHEMBL29904520 0.71 POLB (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9445001 0.70 CYP1A2 (0.53)
SCHEMBL16672606 0.70 CA2 (0.50) EPHX1USP2HPGDHSD17B10CA2
SCHEMBL27858590 0.70 EPHX2 (0.48) USP2HPGDHSD17B10EPHX2SMN1; 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-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 EPHX1 3756/4885USP2 3913/4885HPGD 3923/4885

“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.