SCHEMBL22835448

SCHEMBL22835448

COc1c([N+](=O)[O-])cc(C(=O)O)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.55
TSHR P16473 4/20 0.53
PKM P14618 1/20 0.51
IMPDH2 P12268 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C1 Q04828 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDK2 P24941 1/20 0.41
DTYMK P23919 1/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 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
SCHEMBL3471542 0.87 TSHR (0.53) TPMTTSHRPKMIMPDH2MEN1
SCHEMBL23978047 0.86 TPMT (0.51) TPMTTSHRPKMIMPDH2MEN1
SCHEMBL31447572 0.84 TPMT (0.52) TPMTTSHRPKMIMPDH2MEN1
SCHEMBL6823020 0.83 TPMT (0.58) TPMTTSHRPKMMEN1KMT2A
SCHEMBL6727081 0.81 TSHR (0.56) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL18940600 0.81 TSHR (0.47) TPMTTSHRPKMIMPDH2MEN1
SCHEMBL14605182 0.81 TSHR (0.61) TPMTTSHRPKMIMPDH2MEN1
SCHEMBL6475603 0.80 TSHR (0.49) TPMTTSHRPKMIMPDH2MEN1
SCHEMBL5158001 0.79 ALDH1A1 (0.56) TPMTTSHRIMPDH2MEN1KMT2A
SCHEMBL5179445 0.79 ALDH1A1 (0.54) TPMTTSHRIMPDH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-02-22 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-3989966-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-05-04 EP disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 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 (3 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-20240059674-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TPMT 2639/4885TSHR 3319/4885PKM 1372/4885
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF IRAK4, IRAK2, IRAK3 TPMT 2305/4885TSHR 2572/4885PKM 125/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TPMT 2639/4885TSHR 3319/4885PKM 1372/4885

“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.