SCHEMBL19666476

SCHEMBL19666476

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
RECQL P46063 1/20 0.51
PKM P14618 1/20 0.50
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19666475 1.00 POLB (0.51) POLBHPGDRECQLPKMHTT
SCHEMBL13275856 0.81 RECQL (0.39) POLBHPGDRECQLPKMHTT
SCHEMBL1700183 0.79 L3MBTL3 (0.38) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL1700070 0.79 L3MBTL3 (0.38) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL1700068 0.79 L3MBTL3 (0.38) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL517241 0.78 RECQL (0.32) POLBHPGDRECQLPKMHTT
SCHEMBL517242 0.78 RECQL (0.32) POLBHPGDRECQLPKMHTT
SCHEMBL11158442 0.78 TSHR (0.65) POLBHPGDRECQLPKMHTT
SCHEMBL516868 0.77 PIK3CD (0.38) POLBHPGDRECQLPKMHTT
SCHEMBL516867 0.77 PIK3CD (0.38) POLBHPGDRECQLPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 US disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 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 (2 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-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC POLB 335/4885HPGD 3327/4885RECQL 1660/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC POLB 335/4885HPGD 3327/4885RECQL 1660/4885

“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.