SCHEMBL21069700

SCHEMBL21069700

COc1cc2c(=O)n(C)ccc2cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 1/20 0.58
TNF P01375 3/20 0.46
POLB P06746 1/20 0.41
PSMB1 P20618 2/20 0.41
PSMB2 P49721 2/20 0.41
PSMB5 P28074 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL16328854 0.83 TNF (0.53) ALDH1A1KDM4EHPGDTNFPOLB
SCHEMBL31605163 0.83 TNF (0.46) ALDH1A1KDM4EHPGDHSD17B10TNF
SCHEMBL31605251 0.81 TNF (0.46) ALDH1A1KDM4EHPGDHSD17B10TNF
SCHEMBL25219017 0.81 TNF (0.43) ALDH1A1KDM4EHPGDTNFPSMB1
SCHEMBL3768022 0.81 TNF (0.46) ALDH1A1KDM4EHPGDHSD17B10TNF
SCHEMBL25422253 0.78 TNF (0.45) ALDH1A1KDM4EHPGDTNFPOLB
SCHEMBL29379768 0.78 TNF (0.45) ALDH1A1KDM4EHPGDTNFPOLB
SCHEMBL23946136 0.78 TNF (0.46) ALDH1A1TNFPSMB1PSMB2PSMB5
SCHEMBL30186329 0.78 TNF (0.43) ALDH1A1KDM4EHPGDTNFPSMB1
SCHEMBL16431670 0.78 TNF (0.43) ALDH1A1KDM4EHPGDTNFPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 US disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 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 (6 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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885HPGD 3843/4885
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885HPGD 3843/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885HPGD 3843/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885HPGD 3843/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885HPGD 3843/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885HPGD 3843/4885

“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.