SCHEMBL5166957

SCHEMBL5166957

CCOC(=O)C(C)(CCc1cccs1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RIPK1 Q13546 1/20 0.43
MMP8 P22894 1/20 0.43
TRPM8 Q7Z2W7 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4341638 0.85 RIPK1 (0.48) ALDH1A1SMN1; SMN2RIPK1NPC1RAB9A
SCHEMBL16994851 0.83 HSD17B10 (0.49) ALDH1A1SMN1; SMN2HSD17B10RIPK1MMP8
SCHEMBL7713930 0.79 MMP8 (0.58) ALDH1A1SMN1; SMN2MMP8MEN1KMT2A
SCHEMBL7622533 0.77 MMP8 (0.57) ALDH1A1SMN1; SMN2MMP8TDP1
SCHEMBL5166904 0.77 TRPM8 (0.41) ALDH1A1SMN1; SMN2HSD17B10RIPK1TRPM8
SCHEMBL4473902 0.76 RIPK1 (0.51) SMN1; SMN2RIPK1NPC1RAB9APOLB
SCHEMBL6438457 0.76 HSD17B10 (0.48) ALDH1A1SMN1; SMN2HSD17B10RIPK1MMP8
SCHEMBL591080 0.73 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MMP8MEN1KMT2A
SCHEMBL7712055 0.72 MMP8 (0.55) ALDH1A1MMP8POLB
SCHEMBL7617566 0.72 MMP8 (0.61) ALDH1A1SMN1; SMN2MMP8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A ALDH1A1 129/4885SMN1; SMN2 4220/4885HSD17B10 252/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A ALDH1A1 129/4885SMN1; SMN2 4220/4885HSD17B10 252/4885

“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.