SCHEMBL7089968

SCHEMBL7089968

Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.[HH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 4/20 0.52
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
HTT P42858 2/20 0.48
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HPN P05981 2/20 0.46
PLAU P00749 1/20 0.46
CA7 P43166 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
GAA P10253 2/20 0.45

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
SCHEMBL29500256 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL10193067 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL13050357 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL472429 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL258422 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL292958 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL2239236 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL130104 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL1464202 0.98 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
P-Xylene SCHEMBL5424500 0.97 ALDH1A1 (0.52) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 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-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 ALDH1A1 80/4885NPSR1 755/4885SLC1A3 520/4885

“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.