Sugi Predict

Sugi Predict / Compounds / SCHEMBL6439828

SCHEMBL6439828

SCHEMBL6439828

CC1(OC(=O)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP3A4 P08684 5/20 0.37
▸ CYP2C19 P33261 5/20 0.37
▸ CTSK P43235 4/20 0.37
▸ CTSL P07711 3/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MME P08473 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 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 0.99 CYP2C9 (0.39) KMT2ACYP2C9TSHRMAPTCYP3A4
SCHEMBL6439689 0.93 CYP2C9 (0.38) KMT2ACYP2C9TSHRMAPTCYP3A4
SCHEMBL11817192 0.74 ITGA4 (0.52) MMEALDH1A1
SCHEMBL11817182 0.74 ITGA4 (0.52) MMEALDH1A1
SCHEMBL6438597 0.74 DPP8 (0.43) KMT2ACYP19A1LMNAALDH1A1
SCHEMBL4186450 0.74 HTT (0.56) KMT2ATSHRLMNAALOX15ALDH1A1
SCHEMBL767076 0.72 CTSK (0.51) MAPTCTSKCTSS
SCHEMBL7087412 0.72 CTSK (0.51) MAPTCTSKCTSS
SCHEMBL16587924 0.72 ATM (0.47) KMT2AMAPTCHRM2CHRM1CHRM3
SCHEMBL6166 0.72 CTSK (0.51) MAPTCTSKCTSS

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 KMT2A 3076/4885CYP2C9 4885/4885TSHR 3397/4885
US-20050209177-A9 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 KMT2A 1371/4885CYP2C9 4885/4885TSHR 3604/4885
US-20040127437-A1 Combined therapeutical treatment of hyperproliferative diseases HRAS, MYC, TP53 KMT2A 1371/4885CYP2C9 4885/4885TSHR 3604/4885

“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.