SCHEMBL5999917

SCHEMBL5999917

CC(C)Cc1ccc(COc2ccc(C(C)(C)C)cc2-c2csc(CN(CC(=O)O)Cc3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
MMP13 P45452 10/20 0.41
MMP2 P08253 5/20 0.41
MMP1 P03956 3/20 0.41
MMP9 P14780 3/20 0.41
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MAOB P27338 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
PTGER1 P34995 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
MEN1 O00255 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
SCHEMBL5999176 0.83 PPARD (0.44) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL5999021 0.78 PTPN2 (0.55) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6000706 0.77 PTPN2 (0.55) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6001033 0.77 PTPN2 (0.51) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6000036 0.73 GCGR (0.46) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6000709 0.73 MMP13 (0.43) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6000713 0.71 MEN1 (0.48) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6000515 0.70 PTPN2 (0.52) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6000017 0.69 PTPN2 (0.67) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL5999110 0.68 PTPN2 (0.76) PTPN2PTPN1MMP13MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTPN2 11/4885PTPN1 2/4885MMP13 2340/4885

“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.