SCHEMBL21070458

SCHEMBL21070458

CC(C(=O)N[C@H](C(=O)N1CCCC1c1nc(C(=O)c2cccc(O)c2)cs1)C1CCCCC1)N(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
CPT1A P50416 4/20 0.35
CPT2 P23786 3/20 0.35
RIPK2 O43353 6/20 0.34
XIAP P98170 6/20 0.34
TRPV1 Q8NER1 4/20 0.34
CPT1B Q92523 2/20 0.34
BIRC2 Q13490 2/20 0.33
ADAM17 P78536 2/20 0.33
TRPM8 Q7Z2W7 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
SCHEMBL23884177 1.00 ESR1 (0.36) ESR1CPT1ACPT2RIPK2XIAP
SCHEMBL26677208 1.00 ESR1 (0.36) ESR1CPT1ACPT2RIPK2XIAP
SCHEMBL21070456 1.00 ESR1 (0.36) ESR1CPT1ACPT2RIPK2XIAP
SCHEMBL22835664 0.91 RIPK2 (0.36) ESR1CPT1ACPT2RIPK2XIAP
SCHEMBL23884350 0.91 RIPK2 (0.36) ESR1CPT1ACPT2RIPK2XIAP
SCHEMBL23884348 0.91 RIPK2 (0.36) ESR1CPT1ACPT2RIPK2XIAP
SCHEMBL21472349 0.91 RIPK2 (0.36) ESR1CPT1ACPT2RIPK2XIAP
SCHEMBL21855239 0.91 CPT1A (0.38) ESR1CPT1ACPT2CPT1BADAM17
SCHEMBL26352158 0.90 AADAT (0.38) ESR1CPT1ACPT2RIPK2XIAP
SCHEMBL24926208 0.88 BIRC2 (0.44) ESR1RIPK2XIAPBIRC2

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 32 patents — showing the first 20. 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
EP-4093730-B1 HDAC DEGRADER UNIV LEICESTER (GB) 2024-05-08 EP disclosed
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2024-04-18 US disclosed
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-02-22 US disclosed
US-11866442-B2 Bifunctional compounds for degrading BTK via ubiquitin proteosome pathway NURIX THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
WO-2023218187-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE UNIVERSITY OF DUNDEE (GB) 2023-11-16 WO disclosed
EP-4276097-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE University Of Dundee (GB) 2023-11-15 EP disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 US disclosed
WO-2021201577-A1 HMG-COA REDUCTASE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2021-10-07 WO 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-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US 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 (13 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 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL ESR1 3927/4885CPT1A 4310/4885CPT2 3752/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK ESR1 2894/4885CPT1A 4152/4885CPT2 3744/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-11866442-B2 Bifunctional compounds for degrading BTK via ubiquitin proteosome pathway CBL, XIAP, BTK ESR1 2894/4885CPT1A 4152/4885CPT2 3744/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ESR1 791/4885CPT1A 4426/4885CPT2 4058/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL ESR1 3927/4885CPT1A 4310/4885CPT2 3752/4885

“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.