SCHEMBL6000477

SCHEMBL6000477

CCCC(CCC)c1ccc(COc2ccc(-c3csc(CN4CCC(c5cccc(C(=O)O)c5)CC4)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.40
GLP1R P43220 8/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 3/20 0.39
DRD2 P14416 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5999145 0.91 PTPN2 (0.56) PTPN2PTPN1MRGPRX4GLP1RALDH1A1
SCHEMBL6000774 0.91 MRGPRX4 (0.43) PTPN2PTPN1MRGPRX4GLP1RALDH1A1
SCHEMBL5999093 0.87 PTPN2 (0.53) PTPN2PTPN1MRGPRX4ALDH1A1KMT2A
SCHEMBL6000399 0.86 PTPN2 (0.55) PTPN2PTPN1ALDH1A1KMT2AALOX5
SCHEMBL5999913 0.85 MRGPRX4 (0.45) MRGPRX4GLP1RALDH1A1KMT2ADRD2
Hydrochloric Acid SCHEMBL6000773 0.84 PTPN2 (0.59) PTPN2PTPN1ALDH1A1KMT2AALOX5
Hydrochloric Acid SCHEMBL6000737 0.84 PTPN2 (0.59) PTPN2PTPN1ALDH1A1KMT2AALOX5
SCHEMBL6001162 0.83 MRGPRX4 (0.44) MRGPRX4GLP1R
SCHEMBL6000725 0.82 PTPN2 (0.55) PTPN2PTPN1ALDH1A1KMT2AALOX5
SCHEMBL6000163 0.82 PTPN2 (0.55) PTPN2PTPN1ALDH1A1KMT2AALOX5

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 2/4885MRGPRX4 1577/4885

“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.