SCHEMBL6000973

SCHEMBL6000973

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)CC(=O)Nc4cc(C)cc(C)c4)n3)cc2)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
ADRB3 P13945 1/20 0.32
POLB P06746 1/20 0.32
GCGR P47871 1/20 0.32
GIPR P48546 1/20 0.32

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
SCHEMBL5999977 0.91 PTPN2 (0.51) PTPN1PTPN2UBE2MDCUN1D1MAPT
SCHEMBL6000600 0.91 PTPN2 (0.50) PTPN1PTPN2MAPTRAB9ANPC1
SCHEMBL5999379 0.87 PTPN1 (0.43) PTPN1PTPN2MAPTRAB9ANPC1
SCHEMBL6000680 0.86 PTPN1 (0.44) PTPN1PTPN2MAPTRAB9ANPC1
SCHEMBL6000618 0.85 PTPN1 (0.51) PTPN1PTPN2MAPTRAB9ANPC1
SCHEMBL6000145 0.85 PTPN1 (0.43) PTPN1PTPN2MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL5999167 0.84 PTPN1 (0.54) PTPN1PTPN2MAPTRAB9AALDH1A1
SCHEMBL6000932 0.84 PTPN2 (0.46) PTPN1PTPN2UBE2MDCUN1D1MAPT
SCHEMBL6001050 0.84 PTPN1 (0.55) PTPN1PTPN2RAB9AALDH1A1MMP1
SCHEMBL6001139 0.82 PTPN2 (0.51) PTPN1PTPN2MAPTRAB9ANPC1

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 11/4885UBE2M 4491/4885

“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.