SCHEMBL6000562

SCHEMBL6000562

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(Cc4ccccc4NC(=O)CNCC(=O)O)c3)cc2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
S1PR1 P21453 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PTGES O14684 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6000675 0.85 PTPN1 (0.37) PTPN1CA1CA2MEN1KMT2A
SCHEMBL6000573 0.80 PTPN1 (0.43) PTPN1CA1CA2S1PR1L3MBTL1
SCHEMBL6000877 0.77 LMNA (0.41) PTPN1CA1CA2S1PR1MEN1
SCHEMBL6000551 0.76 PTPN1 (0.41) PTPN1S1PR1
SCHEMBL6000554 0.75 PTPN1 (0.42) PTPN1S1PR1PTGES
SCHEMBL6000095 0.73 PTPN1 (0.38) PTPN1S1PR1TP53ALDH1A1SMN1; SMN2
SCHEMBL6000945 0.72 TDP1 (0.41) PTPN1KMT2AALDH1A1
SCHEMBL5999897 0.71 S1PR1 (0.40) PTPN1S1PR1
SCHEMBL5999898 0.71 S1PR1 (0.40) PTPN1S1PR1
SCHEMBL5999157 0.71 PTPN1 (0.52) PTPN1S1PR1

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 2/4885CA1 3493/4885CA2 873/4885

“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.