SCHEMBL15568736

SCHEMBL15568736

C[C@H](C(=O)O)c1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 3/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
NFKB1 P19838 1/20 0.55
PNMT P11086 1/20 0.55
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.47
PTGS2 P35354 4/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL15568192 1.00 CXCL8 (0.59) CXCL8CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL2111867 1.00 CXCL8 (0.59) CXCL8CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL29718684 0.84 CXCL8 (0.63) CXCL8ALDH1A1MEN1KMT2APTGS2
SCHEMBL4659044 0.84 CXCL8 (0.63) CXCL8ALDH1A1MEN1KMT2APTGS2
SCHEMBL663906 0.84 CXCL8 (0.63) CXCL8ALDH1A1MEN1KMT2APTGS2
SCHEMBL5672222 0.84 CXCL8 (0.63) CXCL8ALDH1A1MEN1KMT2APTGS2
SCHEMBL4803146 0.83 CXCL8 (0.50) CXCL8CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL22969909 0.83 CXCL8 (0.50) CXCL8CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL17513421 0.83 CXCL8 (0.60) CXCL8CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL28342297 0.82 CXCL8 (0.45) CXCL8CYP1A2CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO 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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 CXCL8 614/4885CYP1A2 513/4885CYP3A4 563/4885

“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.