SCHEMBL140116

SCHEMBL140116

Cc1ccc(S(=O)(=O)OC[C@]2(Cc3ccccc3)C[C@H](NC(=O)OCc3ccccc3)CN2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.44
F13A1 P00488 4/20 0.44
TGM1 P22735 4/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
HPN P05981 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
P2RX7 Q99572 4/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TGM6 O95932 1/20 0.39

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
SCHEMBL146869 0.81 ALDH1A1 (0.49) TGM2F13A1TGM1MEN1KMT2A
SCHEMBL144613 0.79 P2RX7 (0.41) TGM2F13A1TGM1MEN1KMT2A
SCHEMBL141505 0.76 SYK (0.45) TGM2F13A1TGM1KMT2ACTSL
SCHEMBL140115 0.75 ALDH1A1 (0.43) TGM2F13A1TGM1MEN1KMT2A
SCHEMBL1319262 0.74 GAA (0.42) GAAPKM
SCHEMBL17329132 0.73 ALDH1A1 (0.56) TGM2F13A1TGM1MEN1KMT2A
SCHEMBL15944722 0.73 ALDH1A1 (0.56) TGM2F13A1TGM1MEN1KMT2A
SCHEMBL82964 0.73 GAA (0.42) ALDH1A1GAAPKM
SCHEMBL15204759 0.73 ALDH1A1 (0.49) TGM2F13A1TGM1MEN1KMT2A
SCHEMBL15204757 0.73 ALDH1A1 (0.49) TGM2F13A1TGM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 TGM2 2626/4885F13A1 3320/4885TGM1 1446/4885

“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.