SCHEMBL5999987

SCHEMBL5999987

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)CC(=O)N4CCCCC4)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
HRH3 Q9Y5N1 1/20 0.36
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNQ1 P51787 1/20 0.30
GSTO1 P78417 1/20 0.30

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
SCHEMBL6001028 0.93 PTPN2 (0.51) PTPN1PTPN2S1PR1ALDH1A1RAB9A
SCHEMBL5999202 0.85 PTPN2 (0.71) PTPN1PTPN2HRH3ALOX5MMP1
Hydrochloric Acid SCHEMBL5999167 0.84 PTPN1 (0.54) PTPN1PTPN2S1PR1ALDH1A1RAB9A
SCHEMBL6000851 0.84 PTPN1 (0.41) PTPN1PTPN2HRH3S1PR1ALDH1A1
SCHEMBL6001050 0.83 PTPN1 (0.55) PTPN1PTPN2S1PR1ALDH1A1ALOX5
Hydrochloric Acid SCHEMBL6000203 0.83 PTPN1 (0.54) PTPN1PTPN2S1PR1ALOX5MMP1
Hydrochloric Acid SCHEMBL5999848 0.83 PTPN1 (0.53) PTPN1PTPN2S1PR1MMP1MMP13
SCHEMBL5999977 0.82 PTPN2 (0.51) PTPN1PTPN2ALDH1A1NPC1RAB9A
SCHEMBL6000618 0.82 PTPN1 (0.51) PTPN1PTPN2NPC1RAB9AMMP1
SCHEMBL6000600 0.81 PTPN2 (0.50) PTPN1PTPN2ALDH1A1NPC1RAB9A

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 11/4885HRH3 1312/4885

“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.