SCHEMBL5999730

SCHEMBL5999730

C=CCC(c1nc2ccccc2[nH]1)N(CC(=O)O)Cc1ccc(-c2ccc(COc3ccc(C(CCC)CCC)cc3)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
NR4A2 P43354 1/20 0.34
DHODH Q02127 1/20 0.34
FAAH O00519 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FPR1 P21462 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
MGAM O43451 2/20 0.32
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
PRMT5 O14744 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
SCHEMBL5999256 0.89 PTPN2 (0.46) PTPN1PTPN2NR4A2DHODHALOX5
SCHEMBL6001108 0.89 PTPN2 (0.43) PTPN1PTPN2NR4A2DHODHFAAH
SCHEMBL6000614 0.83 PTPN1 (0.51) PTPN1PTPN2NR4A2DHODHPOLB
SCHEMBL6386073 0.82 PTPN1 (0.40) PTPN1PTPN2NR4A2DHODHALOX5
SCHEMBL6000514 0.82 PTPN2 (0.41) PTPN1PTPN2NR4A2DHODHFPR1
SCHEMBL6000447 0.82 PTPN2 (0.40) PTPN1PTPN2NR4A2DHODHFAAH
SCHEMBL6001020 0.80 PTPN2 (0.43) PTPN1PTPN2NR4A2DHODHALOX5
SCHEMBL6000153 0.79 PTPN2 (0.49) PTPN1PTPN2NR4A2PPARGPPARA
SCHEMBL5998999 0.79 PTPN1 (0.49) PTPN1PTPN2NR4A2ALOX5FFAR1
Hydrochloric Acid SCHEMBL6000739 0.79 PTPN1 (0.45) 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 11/4885NR4A2 504/4885

“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.