SCHEMBL6000619

SCHEMBL6000619

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(COc4ncccc4C(=O)O)n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
FFAR1 O14842 1/20 0.43
ALOX5 P09917 3/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 2/20 0.42
MAPT P10636 2/20 0.40
ROCK2 O75116 1/20 0.39
MMP13 P45452 5/20 0.39
MMP2 P08253 3/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
DHODH Q02127 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6001006 0.87 PTPN2 (0.55) PTPN2PTPN1FFAR1ALOX5PPARD
SCHEMBL6000642 0.86 PTPN2 (0.61) PTPN2PTPN1ALOX5PPARDPPARA
SCHEMBL6000946 0.86 PTPN2 (0.61) PTPN2PTPN1ALOX5PPARDPPARA
SCHEMBL5998556 0.83 PTPN2 (0.58) PTPN2PTPN1FFAR1ALOX5PPARD
SCHEMBL6000209 0.81 PTPN2 (0.58) PTPN2PTPN1FFAR1ALOX5PPARD
SCHEMBL6000513 0.81 PTPN2 (0.57) PTPN2PTPN1FFAR1ALOX5PPARD
SCHEMBL6001047 0.81 PTPN2 (0.57) PTPN2PTPN1FFAR1ALOX5PPARD
SCHEMBL6000919 0.80 PTPN2 (0.57) PTPN2PTPN1FFAR1ALOX5PPARD
SCHEMBL6000758 0.80 PTPN2 (0.57) PTPN2PTPN1FFAR1ALOX5PPARD
SCHEMBL6000510 0.80 PTPN2 (0.59) PTPN2PTPN1FFAR1ALOX5PPARD

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 2/4885FFAR1 274/4885

“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.