SCHEMBL3328172

SCHEMBL3328172

Cn1nnnc1-c1cc(-c2ccc(F)cc2)sc1/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PLA2G10 O15496 1/20 0.35
IKBKB O14920 3/20 0.35
CCR3 P51677 5/20 0.34
PTPN1 P18031 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HIF1A Q16665 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
GABRA5 P31644 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL3328179 1.00 ALDH1A1 (0.39) ALDH1A1HPGDPLA2G10IKBKBCCR3
SCHEMBL3325836 0.89 IKBKB (0.38) ALDH1A1HPGDIKBKBCCR3ABCC9
SCHEMBL3325841 0.89 IKBKB (0.38) ALDH1A1HPGDIKBKBCCR3ABCC9
SCHEMBL3329517 0.82 GPER1 (0.41) PLA2G10IKBKBPTPN1NPSR1MAPT
SCHEMBL3329510 0.82 GPER1 (0.41) PLA2G10IKBKBPTPN1NPSR1MAPT
SCHEMBL3603091 0.81 PTPN1 (0.45) ALDH1A1HPGDIKBKBCCR3PTPN1
SCHEMBL3326391 0.81 ACLY (0.41) ALDH1A1HPGDPLA2G10ABCC9ABCC8
SCHEMBL3599918 0.77 MAPK14 (0.40) ALDH1A1HPGDMAPTSMN1; SMN2ESR1
SCHEMBL3327323 0.76 PTPN1 (0.36) IKBKBPTPN1NPSR1MAPTKDM4E
SCHEMBL3596170 0.76 IKBKB (0.55) ALDH1A1HPGDIKBKBCCR3PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 ALDH1A1 2098/4885HPGD 690/4885PLA2G10 3016/4885

“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.