SCHEMBL5545971

SCHEMBL5545971

CC(C)(C)NCCNC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA3 P07451 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DRD4 P21917 3/20 0.34
DRD2 P14416 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TP53BP1 Q12888 2/20 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
SCHEMBL16316312 0.87 POLB (0.50) POLBKDM4EMAPTTP53ALDH1A1
SCHEMBL23594056 0.86 POLB (0.49) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL25942505 0.86 POLB (0.49) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL23975102 0.85 MEN1 (0.48) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL22851436 0.82 ALDH1A1 (0.58) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL23682905 0.81 KDM4E (0.40) POLBKDM4EMAPTTP53ALDH1A1
SCHEMBL13341025 0.81 POLB (0.38) POLBKDM4EMAPTTP53ALDH1A1
SCHEMBL21316341 0.80 POLB (0.43) POLBKDM4EMAPTTP53ALDH1A1
SCHEMBL21449037 0.80 EPHX1 (0.41) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21992376 0.80 POLB (0.46) POLBKDM4EMAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING GLYCOMIMETICS, INC. (US) 2023-07-13 US disclosed
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230029378-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-01-26 US disclosed
US-20210198280-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2021-07-01 US disclosed
US-9284316-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2016-03-15 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 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-20210198280-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY BTK, CBL, XIAP POLB 1390/4885KDM4E 1076/4885MAPT 2105/4885
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING SELE, SELPLG, MCL1 POLB 2970/4885KDM4E 1189/4885MAPT 4076/4885
US-20230029378-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK POLB 1827/4885KDM4E 1022/4885MAPT 2223/4885
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS FLT3, SELE, SELL POLB 2661/4885KDM4E 3100/4885MAPT 4875/4885
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 POLB 543/4885KDM4E 4709/4885MAPT 1194/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 POLB 541/4885KDM4E 4712/4885MAPT 1252/4885

“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.