SCHEMBL3907382

SCHEMBL3907382

COc1ccccc1Cl.[LiH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
CA14 Q9ULX7 1/20 0.60
L3MBTL1 Q9Y468 6/20 0.57
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL12541 0.97
SCHEMBL29635862 0.97
SCHEMBL28061440 0.97 CA1 (0.63) CA1CA2CA7CA9CA12
Water SCHEMBL28959107 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL2973304 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL972033 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
Phosphine SCHEMBL17580357 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
Ammonia Solution, Strong SCHEMBL4261840 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
Hydrogen Sulfide SCHEMBL28185953 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
Nitrogen SCHEMBL28278309 0.92 CA1 (0.57) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221711-A1 TRIFLUOROMETHYL-CONTAINING PHENYLSULFONAMIDE BETA AMYLOID INHIBITORS WYETH (US) 2009-09-03 US disclosed
US-7550629-B2 4-chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]benzenesulfonamide; 4-cyano-N-(3,3,3-trifluoro-1-hydroxymethyl-2-trifluoromethyl-propyl)-benzenesulfonamide; Alzheimer's Disease, amyloid angiopathy, systemic amyloidosis, mild cognitive impairment and Down's syndrome WYETH (US) 2009-06-23 US disclosed
US-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors WYETH (US) 2007-10-25 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 (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-20090221711-A1 TRIFLUOROMETHYL-CONTAINING PHENYLSULFONAMIDE BETA AMYLOID INHIBITORS APP, PSEN1, BACE1 CA1 1419/4885CA2 3338/4885CA7 444/4885
US-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors APP, PSEN1, BACE1 CA1 1419/4885CA2 3338/4885CA7 444/4885

“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.