Sugi Predict

Sugi Predict / Compounds / SCHEMBL4755356

SCHEMBL4755356

SCHEMBL4755356

COCCN1C(C)=C(C(=O)O)C(CCOC)(c2cccc(Br)c2)C(C(=O)O)=C1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RECQL P46063 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CACNA1B Q00975 1/20 0.32

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
SCHEMBL4755336 0.86 LMNA (0.42) ALDH1A1LMNASMN1; SMN2HCAR3KDM4E
SCHEMBL5454416 0.78 CACNA1B (0.41) TSHRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9236428 0.72 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2TDP1KMT2A
SCHEMBL11125337 0.70 LMNA (0.34) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL7400371 0.68 CYP2C9 (0.43) TSHRALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL8672508 0.66 GPBAR1 (0.37) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL9153403 0.66 CTSA (0.37) TSHRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL6947850 0.65 HSD11B1 (0.39) TSHRLMNASMN1; SMN2
SCHEMBL4826843 0.65 HCAR3 (0.39) TSHRNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL9154812 0.64 NOTUM (0.39) TSHRALDH1A1LMNASMN1; SMN2KMT2A

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
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 — — WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 — — EP disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 — — US disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 — — 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-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885NPSR1 2491/4885ALDH1A1 3939/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885NPSR1 2491/4885ALDH1A1 3939/4885

“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.