SCHEMBL7121592

SCHEMBL7121592

O=C(O)[C@H](O)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.49
CCR5 P51681 2/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.48
USP28 Q96RU2 1/20 0.48
USP25 Q9UHP3 1/20 0.48
RAB9A P51151 1/20 0.48
PTGER1 P34995 2/20 0.47
HTT P42858 1/20 0.47
FOLH1 Q04609 1/20 0.47
SLC6A4 P31645 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6497698 0.87 LMNA (0.53) LRRK2CCR5USP2LMNAALDH1A1
SCHEMBL2167339 0.86 LRRK2 (0.47) LRRK2CCR5USP2LMNAALDH1A1
SCHEMBL2167940 0.86 LRRK2 (0.47) LRRK2CCR5USP2LMNAALDH1A1
SCHEMBL27563218 0.86 LRRK2 (0.47) LRRK2CCR5USP2LMNAALDH1A1
SCHEMBL8166488 0.83 CCR5 (0.58) LRRK2CCR5USP2LMNAALDH1A1
SCHEMBL17700696 0.83 CCR5 (0.52) LRRK2CCR5USP2LMNAALDH1A1
SCHEMBL3099590 0.82 FABP4 (0.57) LMNAALDH1A1PTGER1KDM4EL3MBTL1
SCHEMBL31065341 0.82 CCR5 (0.50) LRRK2CCR5USP2LMNAALDH1A1
SCHEMBL23599912 0.81 USP28 (0.54) LRRK2CCR5USP2LMNAALDH1A1
SCHEMBL6491785 0.81 CCR5 (0.49) LRRK2CCR5LMNAALDH1A1USP28

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-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 US disclosed
US-6509335-B1 This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of WARNER-LAMBERT COMPANY 2003-01-21 US disclosed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 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 (1 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-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors HABP2, SPINT2, SERPINB1 LRRK2 1773/4885CCR5 2520/4885USP2 1417/4885

“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.