SCHEMBL5186339

SCHEMBL5186339

CCOC(=O)c1ncn(CCSc2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5192788 0.94 ALDH1A1 (0.44) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5185606 0.91 GAA (0.43) GAAPKMTSHRALDH1A1NPC1
SCHEMBL5255298 0.85 PKM (0.58) GAAPKMTSHRALDH1A1NPC1
SCHEMBL5187026 0.85 NPC1 (0.44) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5187240 0.84 ALDH1A1 (0.42) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5185419 0.75 LMNA (0.37) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5257194 0.73 PKM (0.43) GAAPKMTSHRALDH1A1NPC1
SCHEMBL2145421 0.72 ALDH1A1 (0.42) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5256250 0.72 PKM (0.45) GAAPKMTSHRALDH1A1NPC1
SCHEMBL2145204 0.70 GABRA1 (0.43) ALDH1A1MAPTL3MBTL1ELANEKDM4E

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS GAA 54/4885PKM 1337/4885TSHR 4641/4885

“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.