SCHEMBL768346

SCHEMBL768346

Cc1ccc(S(=O)(=O)OCC(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.46
ADRB2 P07550 5/20 0.46
ADRB1 P08588 5/20 0.46
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PGR P06401 1/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MME P08473 1/20 0.39

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
SCHEMBL767895 1.00 ADRB3 (0.46) ADRB3ADRB2ADRB1MAPTTP53
SCHEMBL2536163 1.00 ADRB3 (0.46) ADRB3ADRB2ADRB1MAPTTP53
SCHEMBL6980159 0.88 PKM (0.41) MAPTALDH1A1TDP1PKMKMT2A
SCHEMBL2545371 0.84 UTS2R (0.42) MAPTTP53ALDH1A1PKMKMT2A
SCHEMBL2534458 0.84 UTS2R (0.42) MAPTTP53ALDH1A1PKMKMT2A
SCHEMBL1206501 0.84 PKM (0.53) ALDH1A1PKMKMT2A
SCHEMBL2545829 0.84 PKM (0.53) ALDH1A1PKMKMT2A
SCHEMBL4920359 0.84 PKM (0.53) ALDH1A1PKMKMT2A
SCHEMBL2537512 0.84 CHRM2 (0.52) MAPTTP53ALDH1A1PKM
SCHEMBL16970822 0.82 ALDH1A1 (0.42) MAPTTP53ALDH1A1KMT2AMME

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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ADRB3 3697/4885ADRB2 3764/4885ADRB1 3631/4885

“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.