SCHEMBL5999963

SCHEMBL5999963

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(COc4cc(C(=O)O)on4)n3)cc2)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
PTPN2 P17706 1/20 0.45
MAPT P10636 4/20 0.37
SMPD1 P17405 2/20 0.35
ALOX5 P09917 2/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 2/20 0.34
ALDH1A1 P00352 1/20 0.33
S1PR1 P21453 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 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
SCHEMBL5999169 0.86 PTPN1 (0.47) PTPN1PTPN2MAPTALOX5PPARD
SCHEMBL5999470 0.83 PTPN1 (0.49) PTPN1PTPN2MAPTALOX5PPARD
SCHEMBL6000748 0.80 PTPN1 (0.42) PTPN1PTPN2PPARDPPARA
SCHEMBL6000284 0.79 PTPN1 (0.41) PTPN1PTPN2ALOX5PPARDPPARA
SCHEMBL6000922 0.79 PTPN1 (0.41) PTPN1PTPN2MAPTALOX5PPARD
SCHEMBL6000965 0.79 PTPN1 (0.40) PTPN1PTPN2MAPTALOX5PPARD
SCHEMBL6000167 0.78 PTPN1 (0.49) PTPN1PTPN2MAPTALOX5PPARD
SCHEMBL6000958 0.78 PTPN1 (0.44) PTPN1PTPN2MAPTALOX5PPARD
SCHEMBL6000910 0.78 PTPN1 (0.40) PTPN1PTPN2ALOX5PPARDPPARA
SCHEMBL6000501 0.78 PTPN1 (0.42) PTPN1PTPN2MAPTALOX5PPARD

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 11/4885MAPT 4785/4885

“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.