SCHEMBL6000462

SCHEMBL6000462

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)C(C)c4nc5ccccc5[nH]4)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
DHODH Q02127 3/20 0.36
ALOX5 P09917 2/20 0.35
FPR1 P21462 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
MAOB P27338 2/20 0.35
FFAR1 O14842 1/20 0.35
CHEK2 O96017 1/20 0.35

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
Hydrochloric Acid SCHEMBL6000739 0.99 PTPN1 (0.45) PTPN1PTPN2DHODHALOX5FPR1
Sulfuric Acid SCHEMBL6000131 0.97 PTPN1 (0.44) PTPN1PTPN2DHODHALOX5FPR1
SCHEMBL6000586 0.89 PTPN2 (0.58) PTPN1PTPN2ALOX5FPR1MAOB
SCHEMBL5999256 0.89 PTPN2 (0.46) PTPN1PTPN2DHODHALOX5FPR1
SCHEMBL6000646 0.86 PTPN1 (0.51) PTPN1PTPN2DHODHFFAR1
SCHEMBL6000056 0.83 PTPN1 (0.43) PTPN1PTPN2ALOX5MAOBFFAR1
SCHEMBL6000514 0.82 PTPN2 (0.41) PTPN1PTPN2DHODHFPR1FFAR1
SCHEMBL6386073 0.82 PTPN1 (0.40) PTPN1PTPN2DHODHALOX5FPR1
SCHEMBL6000099 0.81 PTPN1 (0.38) PTPN1
SCHEMBL6000447 0.81 PTPN2 (0.40) PTPN1PTPN2DHODHALOX5FPR1

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 11/4885DHODH 2814/4885

“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.