SCHEMBL2276240

SCHEMBL2276240

Cc1cc([C@H](N[S@@+]([O-])C(C)(C)C)C(C)C)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.36
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HTT P42858 1/20 0.30
PKM P14618 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL2237863 0.84 S1PR1 (0.32) S1PR1
SCHEMBL26446403 0.79 KEAP1 (0.31)
SCHEMBL16169025 0.77 CHRNA1 (0.33)
SCHEMBL12352766 0.75 S1PR1 (0.41) S1PR1
SCHEMBL2274981 0.75 S1PR1 (0.41) S1PR1
SCHEMBL2276222 0.75 S1PR1 (0.41) S1PR1
SCHEMBL4933832 0.74 CHRNA1 (0.38) MEN1KMT2AHTT
SCHEMBL16871173 0.73 ALDH1A1 (0.35)
SCHEMBL16168996 0.72 HDAC4 (0.36)
SCHEMBL15400622 0.72 ADRB2 (0.39) TSHR

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-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 S1PR1 3064/4885TSHR 1964/4885MEN1 3015/4885

“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.