SCHEMBL6000660

SCHEMBL6000660

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CC(NCC(=O)O)(C(N)=O)c4ccccc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.36
GCGR P47871 7/20 0.34
GIPR P48546 7/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 3/20 0.32
ADRB3 P13945 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
PTPRB P23467 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6000551 0.87 PTPN1 (0.41) PTPN1
SCHEMBL6001117 0.84 PTPN2 (0.41) PTPN1PTPN2GCGRGIPRMEN1
SCHEMBL6000352 0.84 GCGR (0.36) PTPN1PTPN2GCGRGIPRMEN1
SCHEMBL6000635 0.79 PTPN1 (0.49) PTPN1PTPN2GCGRGIPRMEN1
SCHEMBL6000675 0.78 PTPN1 (0.37) PTPN1PTPN2GCGRGIPRMEN1
SCHEMBL6000911 0.78 PTPN1 (0.40) PTPN1PTPN2MEN1KMT2AL3MBTL1
SCHEMBL4726316 0.77 PTPN1 (0.38) PTPN1PTPN2GCGRGIPRMEN1
SCHEMBL6000680 0.77 PTPN1 (0.44) PTPN1PTPN2MEN1KMT2AL3MBTL1
SCHEMBL6000424 0.77 PTPN1 (0.41) PTPN1PTPN2MEN1KMT2AL3MBTL1
SCHEMBL6000667 0.76 PTPN1 (0.45) PTPN1PTPN2MEN1KMT2AL3MBTL1

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 11/4885GCGR 194/4885

“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.