SCHEMBL11928050

SCHEMBL11928050

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.45
BIRC3 Q13489 6/20 0.45
BIRC2 Q13490 11/20 0.44
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL11937895 0.84 HTT (0.46)
SCHEMBL11937898 0.84 HTT (0.46)
SCHEMBL13574385 0.83 XIAP (0.48) XIAPBIRC3BIRC2
SCHEMBL2439908 0.83 XIAP (0.49) XIAPBIRC3BIRC2
SCHEMBL12300017 0.83 XIAP (0.49) XIAPBIRC3BIRC2
SCHEMBL14037286 0.82 BIRC2 (0.42) XIAPBIRC3BIRC2
SCHEMBL13823041 0.82 XIAP (0.43) XIAPBIRC2MMP1MMP9MMP14
SCHEMBL13209787 0.81 MMP1 (0.44) XIAPBIRC3BIRC2MMP1MMP9
SCHEMBL20260345 0.81 MMP1 (0.44) XIAPBIRC3BIRC2MMP1MMP9
SCHEMBL21308308 0.81 MMP1 (0.40) MMP1MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
WO-2023205701-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-10-26 WO disclosed
WO-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed
US-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 US disclosed
US-20200376035-A1 METHODS AND COMPOSITIONS COMPRISING CART AND A SMAC MIMETIC UNIV PENNSYLVANIA (US) 2020-12-03 US disclosed
WO-2020200291-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2020-10-08 WO disclosed
WO-2020038415-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2020-02-27 WO disclosed
WO-2019165189-A1 PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-08-29 WO disclosed
WO-2018106870-A1 COMPOSITIONS AND METHODS FOR TREATING CDK4/6-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-06-14 WO disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-7517906-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 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 (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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 XIAP 2/4885BIRC3 4/4885BIRC2 3/4885
US-20200376035-A1 METHODS AND COMPOSITIONS COMPRISING CART AND A SMAC MIMETIC CD47, HAVCR2, MICA XIAP 90/4885BIRC3 36/4885BIRC2 33/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 XIAP 5/4885BIRC3 6/4885BIRC2 2/4885

“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.