SCHEMBL6701596

SCHEMBL6701596

COc1ccc2nc(C(C)Oc3ccc(CC(C(N)=O)S(C)(=O)=O)cc3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
BRS3 P32247 1/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2E1 P05181 5/20 0.41
CYP2C8 P10632 5/20 0.41
CYP2D6 P10635 5/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2B6 P20813 5/20 0.41
CYP2C19 P33261 5/20 0.41
CYP3A4 P08684 4/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
F10 P00742 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
CHEK2 O96017 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL6700569 0.91 CYP2E1 (0.43) MMP1MMP3MMP7BRS3CYP1A2
SCHEMBL6701744 0.85 MMP1 (0.45) MMP1MMP3MMP7BRS3CYP1A2
SCHEMBL6697777 0.84 CYP1A2 (0.43) MMP1MMP3MMP7BRS3CYP1A2
SCHEMBL6703177 0.82 CYP2E1 (0.46) BRS3CYP1A2CYP2E1CYP2C8CYP2D6
Hydrochloric Acid SCHEMBL6723932 0.82 TPH1 (0.47) MMP1MMP3MMP7BRS3CYP1A2
SCHEMBL6700178 0.82 MMP1 (0.45) MMP1MMP3MMP7BRS3CYP1A2
Hydrochloric Acid SCHEMBL6723945 0.82 TPH1 (0.47) MMP1MMP3MMP7BRS3CYP1A2
SCHEMBL6700198 0.81 MMP1 (0.42) MMP1MMP3MMP7BRS3CYP1A2
Hydrochloric Acid SCHEMBL6701224 0.81 PTPN1 (0.44) MMP1MMP3MMP7BRS3CYP1A2
Hydrochloric Acid SCHEMBL7077317 0.81 PTPN1 (0.44) MMP1MMP3MMP7BRS3CYP1A2

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
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID 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 (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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 MMP1 3087/4885MMP3 3047/4885MMP7 3598/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 MMP1 3087/4885MMP3 3047/4885MMP7 3598/4885

“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.