Sugi Predict

Sugi Predict / Compounds / SCHEMBL1058569

SCHEMBL1058569

SCHEMBL1058569

CC[C@H](C)[C@H](NCCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3183424 0.90 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KMT2AGAAPKM
SCHEMBL2909670 0.84 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL2438598 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2GAAPKM
SCHEMBL1058567 0.78 MMP9 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL25667516 0.75 TP53 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3186901 0.74 KMT2A (0.48) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6291909 0.74 PKM (0.47) ALDH1A1SMN1; SMN2HPGDGAAPKM
SCHEMBL3186877 0.74 KMT2A (0.48) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7006722 0.74 MALT1 (0.54) —
SCHEMBL8489201 0.73 MMP2 (0.43) SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 — — EP disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 — — US disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 — — US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 — — US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 — — US disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 — — US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 — — 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 (5 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CYP3A4 764/4885CYP2D6 1947/4885CYP2C9 2161/4885
US-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 CYP3A4 481/4885CYP2D6 1068/4885CYP2C9 1269/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CYP3A4 764/4885CYP2D6 1947/4885CYP2C9 2161/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP CYP3A4 764/4885CYP2D6 1947/4885CYP2C9 2161/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CYP3A4 764/4885CYP2D6 1947/4885CYP2C9 2161/4885

“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.