SCHEMBL12466628

SCHEMBL12466628

C=C(NC(=O)c1sc2ncccc2c1OCc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 4/20 0.45
ALOX5 P09917 3/20 0.45
EPHX2 P34913 3/20 0.45
MAPT P10636 5/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL485739 0.82 CXCR2 (0.52) KDM4EALDH1A1NPC1ALOX5EPHX2
SCHEMBL485308 0.71 CXCR2 (0.64) KDM4EALDH1A1NPC1ALOX5EPHX2
Bicarbonate SCHEMBL485447 0.69 MAOB (0.50) KDM4EALDH1A1NPC1ALOX5EPHX2
SCHEMBL486258 0.69 MAOB (0.52) KDM4EALDH1A1NPC1ALOX5EPHX2
SCHEMBL485445 0.69 NPC1 (0.46) KDM4EALDH1A1NPC1ALOX5EPHX2
SCHEMBL485674 0.69 CXCR2 (0.51) KDM4EALDH1A1NPC1ALOX5EPHX2
SCHEMBL27693303 0.68 CXCR2 (0.46) KDM4EALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL5226998 0.68 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Formic Acid SCHEMBL27693254 0.66 MAOB (0.48) KDM4EALDH1A1NPC1ALOX5EPHX2
SCHEMBL23460180 0.66 NPC1 (0.42) KDM4EALDH1A1NPC1ALOX5EPHX2

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-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885ALDH1A1 1443/4885NPC1 1259/4885

“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.