SCHEMBL6000861

SCHEMBL6000861

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)Cc4nc(C(C)(C)C)cs4)n3)cc2)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
PTPN2 P17706 1/20 0.52
GCGR P47871 3/20 0.36
GIPR P48546 3/20 0.36
MMP1 P03956 2/20 0.34
MMP13 P45452 2/20 0.34
ADRB3 P13945 2/20 0.32
L3MBTL1 Q9Y468 6/20 0.32
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 2/20 0.32
S1PR1 P21453 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.31
ALOX5 P09917 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL6000635 0.90 PTPN1 (0.49) PTPN1PTPN2GCGRGIPRMMP1
SCHEMBL5999198 0.90 PTPN1 (0.42) PTPN1PTPN2GCGRGIPRMMP1
SCHEMBL6001105 0.89 PTPN1 (0.43) PTPN1PTPN2GCGRGIPRMMP1
SCHEMBL6000613 0.84 PTPN2 (0.47) PTPN1PTPN2GCGRGIPRMMP1
SCHEMBL5999379 0.84 PTPN1 (0.43) PTPN1PTPN2ADRB3L3MBTL1RAB9A
SCHEMBL6000901 0.84 PTPN2 (0.48) PTPN1PTPN2GCGRGIPRMMP1
SCHEMBL6000680 0.84 PTPN1 (0.44) PTPN1PTPN2MMP1MMP13ADRB3
SCHEMBL6000145 0.83 PTPN1 (0.43) PTPN1PTPN2ADRB3RAB9AALDH1A1
SCHEMBL5999984 0.83 PTPN1 (0.50) PTPN1PTPN2MMP1MMP13S1PR1
SCHEMBL6000649 0.83 PTPN1 (0.49) PTPN1PTPN2MMP1MMP13MMP2

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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
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 PTPN1 2/4885PTPN2 11/4885GCGR 194/4885

“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.