SCHEMBL6001108

SCHEMBL6001108

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)C(CC(=O)N(CC)CC)c4nc5ccccc5[nH]4)s3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
TSPO P30536 1/20 0.35
DHODH Q02127 1/20 0.33
NR4A2 P43354 1/20 0.33
FPR1 P21462 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
FFAR1 O14842 4/20 0.33
CXCR3 P49682 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
FAAH O00519 1/20 0.31
PRMT5 O14744 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
SCHEMBL5999730 0.89 PTPN1 (0.44) PTPN2PTPN1DHODHNR4A2FPR1
SCHEMBL5999256 0.89 PTPN2 (0.46) PTPN2PTPN1DHODHNR4A2FPR1
SCHEMBL6000447 0.83 PTPN2 (0.40) PTPN2PTPN1DHODHNR4A2FPR1
SCHEMBL6000614 0.82 PTPN1 (0.51) PTPN2PTPN1DHODHNR4A2PPARG
SCHEMBL6386073 0.82 PTPN1 (0.40) PTPN2PTPN1DHODHNR4A2FPR1
SCHEMBL6000514 0.82 PTPN2 (0.41) PTPN2PTPN1DHODHNR4A2FPR1
SCHEMBL6001020 0.79 PTPN2 (0.43) PTPN2PTPN1DHODHNR4A2FFAR1
SCHEMBL6000153 0.79 PTPN2 (0.49) PTPN2PTPN1NR4A2PPARGPPARA
SCHEMBL5998999 0.79 PTPN1 (0.49) PTPN2PTPN1NR4A2FFAR1
Hydrochloric Acid SCHEMBL6000739 0.78 PTPN1 (0.45) PTPN2PTPN1DHODHFPR1FFAR1

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 PTPN2 11/4885PTPN1 2/4885TSPO 2984/4885

“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.