SCHEMBL4643473

SCHEMBL4643473

CCOC(=O)CNc1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.49
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
CCR5 P51681 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PTGER1 P34995 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
BRD4 O60885 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP28 Q96RU2 1/20 0.45
USP25 Q9UHP3 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL2897343 0.83 SMN1; SMN2 (0.44) LMNAALDH1A1BRD4MEN1KMT2A
SCHEMBL8104076 0.83 MRGPRX4 (0.50) LMNAALDH1A1PTGER1BRD4MEN1
SCHEMBL17902651 0.81 ALDH1A1 (0.46) LMNAALDH1A1NPSR1CYP1A2MEN1
SCHEMBL6855607 0.80 HDAC8 (0.50) LRRK2LMNAALDH1A1NPSR1MEN1
SCHEMBL31285651 0.80 PPID (0.43) LMNAALDH1A1MEN1KMT2A
SCHEMBL27733225 0.79 BRD4 (0.48) LRRK2LMNAUSP2CCR5ALDH1A1
SCHEMBL630140 0.79 MEN1 (0.48) LMNAALDH1A1MEN1KMT2A
SCHEMBL31285324 0.78 BRD4 (0.41) LMNAALDH1A1BRD4MEN1KMT2A
SCHEMBL31277431 0.77 LRRK2 (0.46) LRRK2LMNAUSP2CCR5ALDH1A1
SCHEMBL629377 0.77 LRRK2 (0.46) LRRK2LMNAUSP2CCR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 LRRK2 413/4885LMNA 4819/4885USP2 914/4885

“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.