SCHEMBL6697672

SCHEMBL6697672

C[C@H]1OCC(=O)[C@H]1NC(=O)C1(NC(=O)c2cc3ccccc3o2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
RAB9A P51151 9/20 0.46
TACR2 P21452 2/20 0.42
NPC1 O15118 7/20 0.41
KMT2A Q03164 2/20 0.41
CTSK P43235 1/20 0.40
BCAT1 P54687 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 4/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1840233 0.74 RAB9A (0.55) POLBRAB9ATACR2NPC1KMT2A
SCHEMBL5097751 0.74 RAB9A (0.50) POLBRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL5744609 0.74 CTSK (0.70) CTSK
SCHEMBL5762282 0.73 CTSK (0.54) POLBRAB9ANPC1KMT2ACTSK
SCHEMBL5105395 0.73 TACR2 (0.47) POLBRAB9ATACR2NPC1KMT2A
SCHEMBL5104900 0.73 RAB9A (0.43) POLBRAB9ATACR2NPC1KMT2A
SCHEMBL6242316 0.73 TACR2 (0.46) POLBRAB9ATACR2CTSK
SCHEMBL5743549 0.72 CTSK (0.60) RAB9ANPC1KMT2ACTSKMEN1
Hydrochloric Acid SCHEMBL5101404 0.72 RAB9A (0.47) POLBRAB9ATACR2NPC1SMN1; SMN2
SCHEMBL5104852 0.72 RAB9A (0.45) POLBRAB9ATACR2NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ POLB 4412/4885RAB9A 454/4885TACR2 189/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK POLB 4674/4885RAB9A 585/4885TACR2 242/4885

“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.