SCHEMBL2698307

SCHEMBL2698307

COc1ccc(SCC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.64
ALDH1A1 P00352 7/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 4/20 0.49
MAPK1 P28482 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
PKM P14618 2/20 0.47

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
SCHEMBL2698303 1.00 APEX1 (0.64) APEX1ALDH1A1RAB9AKMT2APOLB
SCHEMBL11254740 0.93 APEX1 (0.56) APEX1ALDH1A1RAB9AKMT2APOLB
SCHEMBL21445759 0.81 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2APOLBNPC1
SCHEMBL11261243 0.81 APEX1 (0.69) APEX1ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL11208688 0.80 APEX1 (0.56) APEX1ALDH1A1RAB9APOLBNPC1
SCHEMBL396790 0.80 MAPT (0.74) APEX1ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL19033143 0.79 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2APOLBNPC1
SCHEMBL6516183 0.79 MAPT (0.61) ALDH1A1RAB9AKMT2APOLBNPC1
SCHEMBL5047710 0.78 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2APOLBNPC1
SCHEMBL14235422 0.78 APEX1 (0.69) APEX1ALDH1A1KMT2APOLBSMN1; SMN2

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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 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 (2 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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK APEX1 1431/4885ALDH1A1 2130/4885RAB9A 2330/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK APEX1 1431/4885ALDH1A1 2130/4885RAB9A 2330/4885

“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.