SCHEMBL21997016

SCHEMBL21997016

CNCCCCCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
EPHX1 P07099 1/20 0.35
KISS1R Q969F8 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL18992802 0.98 KDM4A (0.41) KDM4AKDM4CEPHX1KISS1RKDM4E
SCHEMBL17093613 0.92 KDM4A (0.39) KDM4AKDM4CKISS1RSIGMAR1KDM4E
SCHEMBL2721332 0.84 PRMT3 (0.37) KDM4AKDM4CMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL837377 0.82 KDM4A (0.36) KDM4AKDM4CMEN1HTTKMT2A
SCHEMBL5791555 0.81 EPHX1 (0.39) EPHX1KDM4EALDH1A1
SCHEMBL5312463 0.81 EPHX1 (0.39) EPHX1KDM4EALDH1A1
SCHEMBL25435994 0.80 MEN1 (0.55) EPHX1KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL15844713 0.80 SMN1; SMN2 (0.55) KDM4AEPHX1KDM4EGAASMN1; SMN2
SCHEMBL15845051 0.80 SMN1; SMN2 (0.55) KDM4AEPHX1KDM4EGAASMN1; SMN2
SCHEMBL5791276 0.79 TSHR (0.40) EPHX1GAAALDH1A1

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-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 US disclosed
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 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 (5 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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KDM4A 104/4885KDM4C 293/4885EPHX1 1684/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KDM4A 104/4885KDM4C 293/4885EPHX1 1684/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KDM4A 104/4885KDM4C 293/4885EPHX1 1684/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KDM4A 104/4885KDM4C 293/4885EPHX1 1684/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KDM4A 104/4885KDM4C 293/4885EPHX1 1684/4885

“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.