SCHEMBL22835286

SCHEMBL22835286

CC1Oc2cc(Cl)ccc2C1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.43
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAP3K14 Q99558 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 2/20 0.35
CASP6 P55212 1/20 0.34
ALPG P10696 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18740908 0.76 POLB (0.42) AKR1B1POLBCASP6
SCHEMBL14350586 0.75 AHR (0.40) AKR1B1MAP3K14ALDH1A1
SCHEMBL11365378 0.74 AKR1B1 (0.40) AKR1B1PTGS1PTGS2ALOX15HSD17B10
SCHEMBL17396986 0.72 PTGS1 (0.39) AKR1B1PTGS1PTGS2MAP3K14POLB
SCHEMBL29951004 0.69 PTGS2 (0.43) AKR1B1PTGS2HSD17B10POLBCASP6
SCHEMBL10335046 0.67 AKR1B1 (0.37) AKR1B1PTGS1PTGS2ALOX15HSD17B10
SCHEMBL12776094 0.66 BACE1 (0.38) AKR1B1PTGS1PTGS2ALOX15HSD17B10
SCHEMBL12746564 0.66 BRD4 (0.38) PTGS1PTGS2ALOX15HSD17B10ALDH1A1
SCHEMBL25787170 0.65 AHR (0.50) AKR1B1PTGS1PTGS2MAP3K14TP53
SCHEMBL1519311 0.65 L3MBTL1 (0.49) POLBALDH1A1TSHR

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 6 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
CN-114502158-A IRAK degradation agent and application thereof 凯麦拉医疗公司 2022-05-13 CN 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 AKR1B1 1512/4885PTGS1 3012/4885PTGS2 3205/4885
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF IRAK4, IRAK2, IRAK3 AKR1B1 2243/4885PTGS1 3359/4885PTGS2 3814/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 AKR1B1 1512/4885PTGS1 3012/4885PTGS2 3205/4885

“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.