SCHEMBL21857697

SCHEMBL21857697

Nc1cc(-c2ccccc2-c2cnc[nH]2)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.54
FTO Q9C0B1 1/20 0.46
CYP3A4 P08684 1/20 0.44
PPM1B O75688 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LTA4H P09960 1/20 0.40
SCN9A Q15858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM6B O15054 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
SCHEMBL13522904 0.80 PPM1B (0.56) IDO1CYP3A4PPM1BMAPTNPSR1
SCHEMBL17744804 0.77 PPM1B (0.56) IDO1CYP3A4PPM1BMAPTNPSR1
SCHEMBL21857476 0.76 KMT2A (0.59) IDO1FTOCYP3A4ASIC3CYP11B1
SCHEMBL21857926 0.74 FTO (0.47) IDO1FTOMAPTMEN1KMT2A
SCHEMBL21857669 0.74 FTO (0.47) IDO1FTOMAPTMEN1KMT2A
SCHEMBL28637205 0.74 MAPT (0.49) IDO1FTOCYP3A4ASIC3MAPT
SCHEMBL28789045 0.73 MCL1 (0.65) IDO1FTOPPM1BMAPTNPSR1
SCHEMBL148241 0.73 ACMSD (0.65) IDO1PPM1BMAPTKDM4EMEN1
SCHEMBL31509740 0.73 PPM1B (0.51) IDO1PPM1BKDM4EKMT2AMCL1
SCHEMBL30611811 0.73 ACMSD (0.65) IDO1PPM1BMAPTKDM4EMEN1

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 IDO1 1205/4885FTO 3103/4885CYP3A4 2539/4885

“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.