SCHEMBL14830534

SCHEMBL14830534

O=C(NC1CCSC1=O)c1ccccc1O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 6/20 0.67
POLB P06746 1/20 0.61
MAPK1 P28482 2/20 0.59
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
PKM P14618 1/20 0.54
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL14830862 0.86 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL10511025 0.85 KMT2A (0.72) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL13634694 0.84 KMT2A (1.00) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL18619476 0.83 POLB (0.58) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL4048976 0.74 NPC1 (0.83) KMT2AMEN1ALDH1A1MAPK1LMNA
SCHEMBL11113900 0.73 MAPK1 (0.78) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL10511793 0.73 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL20811963 0.71 CRBN (0.74) ALDH1A1LMNANPC1KDM4EHPGD
SCHEMBL14839351 0.71 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL12083372 0.71 KDM4E (0.73) KMT2AMEN1ALDH1A1MAPK1LMNA

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-20140234365-A1 2-HYDROXYHIPPURIC ACID ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2014-08-21 US disclosed
EP-2750706-A1 2-HYDROXYHIPPURIC ACID ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE Alere San Diego, Inc. (US) 2014-07-09 EP disclosed
WO-2013049294-A1 2-HYDROXYHIPPURIC ACID ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2013-04-04 WO disclosed
WO-2013049294-A1 2-HYDROXYHIPPURIC ACID ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2013-04-04 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-20140234365-A1 2-HYDROXYHIPPURIC ACID ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE SLC3A2, CTH, FABP1 KMT2A 2015/4885MEN1 3017/4885ALDH1A1 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.