SCHEMBL6001028

SCHEMBL6001028

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)CC(=O)N4CCOCC4)n3)cc2)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
GSTO1 P78417 1/20 0.38
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.34
S1PR1 P21453 1/20 0.34
CASR P41180 2/20 0.33
FKBP1A P62942 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIN1 Q13526 1/20 0.32
HTT P42858 1/20 0.32
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
MAPT P10636 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
SCHEMBL5999987 0.93 PTPN1 (0.52) PTPN2PTPN1GSTO1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL5999167 0.83 PTPN1 (0.54) PTPN2PTPN1GSTO1RAB9AALDH1A1
SCHEMBL6001050 0.82 PTPN1 (0.55) PTPN2PTPN1RAB9AALDH1A1S1PR1
Hydrochloric Acid SCHEMBL6000203 0.82 PTPN1 (0.54) PTPN2PTPN1GSTO1S1PR1
Hydrochloric Acid SCHEMBL5999848 0.81 PTPN1 (0.53) PTPN2PTPN1GSTO1S1PR1
SCHEMBL5999977 0.81 PTPN2 (0.51) PTPN2PTPN1RAB9AALDH1A1MEN1
SCHEMBL6000618 0.81 PTPN1 (0.51) PTPN2PTPN1RAB9AMEN1KMT2A
SCHEMBL6000600 0.80 PTPN2 (0.50) PTPN2PTPN1RAB9AALDH1A1MEN1
SCHEMBL6000973 0.80 PTPN1 (0.49) PTPN2PTPN1RAB9AALDH1A1MEN1
SCHEMBL5999947 0.79 PTPN2 (0.60) PTPN2PTPN1RAB9AALDH1A1MEN1

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 2/4885GSTO1 959/4885

“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.