SCHEMBL4957448

SCHEMBL4957448

O=S(=O)(NCN1CCCCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
SIGMAR1 Q99720 6/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.49
GBA1 P04062 1/20 0.49
KEAP1 Q14145 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR7 P34969 2/20 0.48
MBTD1 Q05BQ5 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4664975 0.98 ATM (0.55) ATMSIGMAR1ALDH1A1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL4920012 0.87 ATM (0.49) ATMSIGMAR1ALDH1A1KDM4EPOLB
SCHEMBL3362277 0.83 KMT2A (0.56) ALDH1A1KDM4EPOLBGAATSHR
SCHEMBL4441885 0.83 GBA1 (0.50) ATMALDH1A1KDM4EPOLBLMNA
SCHEMBL4196782 0.83 SIGMAR1 (0.73) SIGMAR1KDM4EMAPTGAALMNA
SCHEMBL6568486 0.81 SIGMAR1 (0.72) SIGMAR1ALDH1A1KDM4EMAPTGAA
SCHEMBL5198457 0.79 HTR7 (0.74) SIGMAR1ALDH1A1KDM4EPOLBLMNA
SCHEMBL8349568 0.75 ALDH1A1 (0.79) ALDH1A1KDM4ETSHRLMNAPKM
SCHEMBL15226147 0.74 CCR5 (0.50) SIGMAR1ALDH1A1MAPTGAAGBA1
SCHEMBL14025545 0.74 ALDH1A1 (0.67) ATMALDH1A1KDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328849-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS Pfizer Inc. (US) 2018-06-06 EP disclosed
WO-2017021805-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2017-02-09 WO disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1541143-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 EP 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 ATM 4787/4885SIGMAR1 2113/4885ALDH1A1 376/4885

“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.