SCHEMBL2801730

SCHEMBL2801730

O=C(O)c1ccc(Br)c(OCC(F)(F)C(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CFTR P13569 2/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1932761 0.85 L3MBTL1 (0.51) ALDH1A1HTTKDM4EL3MBTL1RAB9A
SCHEMBL2805750 0.85 MAPT (0.50) NPSR1ALDH1A1MAPTHTTKMT2A
SCHEMBL1496817 0.84 NPSR1 (0.51) NPSR1ALDH1A1MAPTHTTKMT2A
SCHEMBL17799027 0.82 TSHR (0.61) NPSR1ALDH1A1MAPTHTTKMT2A
SCHEMBL2802978 0.80 TSHR (0.42) ALDH1A1HTTKDM4EPOLBLMNA
SCHEMBL16005918 0.78 TSHR (0.44) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL1488234 0.77 TDP1 (0.46) NPSR1ALDH1A1MAPTHTTKMT2A
SCHEMBL2801474 0.77 MAPK1 (0.41) ALDH1A1HTTKDM4EPOLBHPGD
SCHEMBL977445 0.77 PLA2G2D (0.42) ALDH1A1HTTKDM4EPOLBL3MBTL1
SCHEMBL2802209 0.77 PLA2G2D (0.45) ALDH1A1POLBL3MBTL1HPGDTSHR

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-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US 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-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 NPSR1 266/4885ALDH1A1 119/4885MAPT 1012/4885

“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.