SCHEMBL7313485

SCHEMBL7313485

CC(C)C[C@@H](OS(=O)(=O)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.43
CTSB P07858 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL5870158 1.00 CTSK (0.43) CTSKCTSBALDH1A1CTSSCTSL
SCHEMBL7300652 0.86 ALDH1A1 (0.40) CTSKCTSBALDH1A1
SCHEMBL8711997 0.85 PPARG (0.44) ALDH1A1
SCHEMBL8711993 0.85 PPARG (0.44) ALDH1A1
SCHEMBL8055631 0.84 CA1 (0.44) CTSKALDH1A1
SCHEMBL16115639 0.84 ALDH1A1 (0.43) CTSBALDH1A1CTSSCTSL
SCHEMBL18256487 0.83 ALDH1A1 (0.47) CTSKALDH1A1CTSSCTSL
SCHEMBL3525448 0.83 ALDH1A1 (0.47) CTSKALDH1A1CTSSCTSL
SCHEMBL20276639 0.83 ALDH1A1 (0.47) CTSKALDH1A1CTSSCTSL
SCHEMBL7344531 0.83 BLM (0.41) ALDH1A1CTSL

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
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-1998007742-A1 SULFONAMIDES ZENECA LIMITED (GB) 1998-02-26 WO disclosed
US-5380921-A Enzyme inhibitors for endothelin converting enzyme for cardiovascular disorders and atherosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-01-10 US disclosed
EP-0623625-A1 Aminophosphonic acid derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CTSK 541/4885CTSB 438/4885ALDH1A1 1305/4885

“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.