SCHEMBL22906386

SCHEMBL22906386

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 5/20 0.60
SLC6A2 P23975 1/20 0.58
CMA1 P23946 2/20 0.56
OPRM1 P35372 2/20 0.54
ACE P12821 4/20 0.52
ACE2 Q9BYF1 4/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL25122503 1.00 CALCRL (0.60) CALCRLSLC6A2CMA1OPRM1ACE
Trifluoroacetic Acid SCHEMBL30641544 0.96 CMA1 (0.58) CALCRLSLC6A2CMA1OPRM1ACE
SCHEMBL10626642 0.93 ACE (0.56) CALCRLSLC6A2ACEACE2
SCHEMBL29412259 0.92 CALCRL (0.60) CALCRLSLC6A2OPRM1ACEACE2
SCHEMBL25920955 0.92 CALCRL (0.59) CALCRLSLC6A2CMA1OPRM1OPRD1
SCHEMBL8739538 0.91 CMA1 (0.56) CALCRLCMA1ACEACE2
SCHEMBL31362684 0.91 CALCRL (0.60) CALCRLSLC6A2CMA1OPRM1OPRD1
SCHEMBL31039489 0.89 SLC6A2 (0.70) CALCRLSLC6A2CMA1OPRM1OPRD1
SCHEMBL11268587 0.88 ACE (0.62) ACEACE2
SCHEMBL7383518 0.88 ACE (0.62) ACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230190940-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-22 US disclosed
US-11679109-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-20230135894-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
WO-2022125800-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2022125804-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2022087216-A1 DOUBLE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-04-28 WO disclosed
WO-2021231778-A1 CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed
WO-2021133920-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 WO disclosed
WO-2021127283-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021011868-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
WO-2021011871-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 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 (7 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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CALCRL 2322/4885SLC6A2 4857/4885CMA1 924/4885
US-20230135894-A1 MK2 DEGRADERS AND USES THEREOF MKNK2, MKRN3, DUS2 CALCRL 4704/4885SLC6A2 4431/4885CMA1 719/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 CALCRL 4372/4885SLC6A2 4748/4885CMA1 1001/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CALCRL 2322/4885SLC6A2 4857/4885CMA1 924/4885
US-20230190940-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CALCRL 2322/4885SLC6A2 4857/4885CMA1 924/4885
US-11679109-B2 SMARCA degraders and uses thereof SMARCA1, SMARCA2, SMARCC2 CALCRL 4372/4885SLC6A2 4748/4885CMA1 1001/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CALCRL 2322/4885SLC6A2 4857/4885CMA1 924/4885

“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.