SCHEMBL4096846

SCHEMBL4096846

[CH2]c1ccc(OCCCF)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
APP P05067 11/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNA3 P22001 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL3729908 0.88 APP (0.50) APPALDH1A1
SCHEMBL304730 0.79 TAAR1 (0.60) MEN1KMT2AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL98351 0.79 LTA4H (0.57) GAA
SCHEMBL6420718 0.78 DRD4 (0.50) GAA
SCHEMBL12585056 0.77 DRD2 (0.59) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL13925530 0.77 DRD2 (0.59) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL11309363 0.77 APP (0.58) MAPTKMT2AL3MBTL1GAAAPP
SCHEMBL16481263 0.77 KDM4E (0.61) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL14940562 0.76 KEAP1 (0.58) APP
SCHEMBL1119457 0.76 NR5A1 (0.62) MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US claimed
EP-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP claimed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO claimed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US disclosed
EP-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 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 (3 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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ MAPT 3084/4885MEN1 4001/4885KMT2A 4694/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS MAPT 3252/4885MEN1 4161/4885KMT2A 4637/4885
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 MAPT 1266/4885MEN1 264/4885KMT2A 3216/4885

“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.