SCHEMBL3597253

SCHEMBL3597253

[CH2]c1ccccc1-c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
PTGS2 P35354 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
PKM P14618 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 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
SCHEMBL962955 0.94 PTPRC (0.54) PTPRCNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL26613458 0.79 PTPRC (0.53) PTPRCNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL395611 0.79 PTPRC (0.55) PTPRCNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27466656 0.79 BCL2L1 (0.59) PTPRCNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5282347 0.79 PTPRC (0.55) PTPRCNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31366955 0.79 PTPRC (0.55) PTPRCNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL962586 0.77 CHEK1 (0.40) PTPRCALDH1A1PKMABCG2CYP1A2
SCHEMBL29500442 0.76 ALOX5 (0.53) PTPRCNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2992287 0.76 ALOX5 (0.53) PTPRCNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19153574 0.76 PTPRC (0.56) PTPRCNPC1RAB9ASMN1; SMN2MAPT

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
US-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same BIOGEN IDEC MA INC. (US) 2010-04-29 US disclosed
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 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 (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-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same ALK, ACVR1, ACVR1B PTPRC 3111/4885NPC1 2417/4885RAB9A 4647/4885

“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.