SCHEMBL6439689

SCHEMBL6439689

CC1(OC(=O)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.38
TSHR P16473 4/20 0.38
MAPT P10636 1/20 0.38
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
CYP3A4 P08684 6/20 0.35
LMNA P02545 5/20 0.35
CYP2C19 P33261 5/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.34
HPGD P15428 2/20 0.34
HDAC1 Q13547 1/20 0.34
PTBP1 P26599 1/20 0.34
GPR88 Q9GZN0 1/20 0.34

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
SCHEMBL6442095 0.95 CYP2C9 (0.39) CYP2C9TSHRMAPTKEAP1NFE2L2
SCHEMBL6439828 0.93 KMT2A (0.39) CYP2C9TSHRMAPTCYP3A4LMNA
SCHEMBL6438597 0.77 DPP8 (0.43) LMNAKMT2AALDH1A1
SCHEMBL4186450 0.77 HTT (0.56) TSHRKEAP1NFE2L2LMNAKMT2A
SCHEMBL9994204 0.75 ATM (0.47) MAPTKEAP1NFE2L2LMNAKMT2A
SCHEMBL16587924 0.75 ATM (0.47) MAPTKEAP1NFE2L2LMNAKMT2A
SCHEMBL7087412 0.75 CTSK (0.51) MAPT
SCHEMBL6166 0.75 CTSK (0.51) MAPT
SCHEMBL13363641 0.75 CTSK (0.51) MAPT
SCHEMBL767076 0.75 CTSK (0.51) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases TOCQUE BRUNO 2005-09-22 US disclosed
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases TOCQUE BRUNO (FR) 2004-07-01 US disclosed
US-20010021395-A1 Method for destroying hyperproliferative cells by combined p53 and taxoid treatment TOCQUE BRUNO (FR) 2001-09-13 US disclosed
US-6262032-B1 WHEREIN THE ADENOVIRAL VECTOR AND THE TAXOID COMPOUND ARE BROUGHT INTO CONTACT WITH THE CELL SIMULTANEOUSLY. AVENTIS PHARMA S.A. (FR) 2001-07-17 US disclosed
US-5670536-A Pharmaceutical composition based on taxoids RHONE-POULENC RORER S.A. (FR) 1997-09-23 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-20010021395-A1 Method for destroying hyperproliferative cells by combined p53 and taxoid treatment TP53, HRAS, MYC CYP2C9 4885/4885TSHR 3397/4885MAPT 3248/4885
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CYP2C9 4885/4885TSHR 3604/4885MAPT 3987/4885
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 CYP2C9 4885/4885TSHR 3604/4885MAPT 3987/4885

“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.