SCHEMBL6000935

SCHEMBL6000935

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(C)S(=O)(=O)c4ccc(C(=O)O)cc4)n3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.58
PTPN2 P17706 1/20 0.58
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAS2R14 Q9NYV8 6/20 0.41
AVPR1B P47901 1/20 0.41
KMT2A Q03164 3/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
POLB P06746 1/20 0.39
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL6000946 0.87 PTPN2 (0.61) PTPN1PTPN2RXRARXRBNPC1
SCHEMBL6000642 0.87 PTPN2 (0.61) PTPN1PTPN2RXRARXRBNPC1
SCHEMBL6000019 0.87 PTPN2 (0.44) PTPN1PTPN2NPC1RAB9ASMN1; SMN2
SCHEMBL5998570 0.84 PTPN2 (0.42) PTPN1PTPN2NPC1RAB9AALDH1A1
SCHEMBL6000716 0.83 PTPN2 (0.60) PTPN1PTPN2MMP1MMP2MMP9
SCHEMBL6000688 0.83 PTPN2 (0.55) PTPN1PTPN2RXRARXRBNPC1
SCHEMBL6000216 0.83 PTPN2 (0.55) PTPN1PTPN2RXRARXRBNPC1
SCHEMBL6000139 0.83 PTPN2 (0.54) PTPN1PTPN2RXRARXRBNPC1
SCHEMBL6001000 0.82 PTPN2 (0.54) PTPN1PTPN2RXRARXRBNPC1
SCHEMBL6000518 0.82 PTPN2 (0.56) PTPN1PTPN2RXRARXRBNPC1

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 11/4885RXRA 867/4885

“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.