SCHEMBL48328

SCHEMBL48328

COc1ccc(C(Br)C(C)=O)cc1S(N)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
CA2 P00918 5/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 3/20 0.41
ACHE P22303 2/20 0.40
HTT P42858 1/20 0.40
CA4 P22748 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL29105560 0.81 PKM (0.52) PKMCA2CA12CA9CA1
SCHEMBL2393604 0.79 CA1 (0.46) CA2CA12CA9CA1CA4
SCHEMBL10642055 0.79 ALDH1A1 (0.57) PKMCA2CA12CA9CA1
SCHEMBL31411917 0.79 ALDH1A1 (0.57) PKMCA2CA12CA9CA1
SCHEMBL2393783 0.77 CA1 (0.42) CA2CA12CA9CA1CA4
SCHEMBL19303571 0.76 MEN1 (0.49) TDP1ALDH1A1MEN1KMT2APOLB
SCHEMBL10642171 0.75 PKM (0.51) PKMCA2CA12CA9CA1
Hydrochloric Acid SCHEMBL11151210 0.74 PKM (0.51) PKMCA2CA1ACHETDP1
SCHEMBL7144945 0.74 PKM (0.77) PKMCA2CA12CA9CA1
SCHEMBL48508 0.73 GRM2 (0.40) ACHEHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311818-B1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug NOVARTIS AG (CH) 2013-01-16 EP disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 WO 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B PKM 621/4885CA2 1809/4885CA12 4853/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B PKM 621/4885CA2 1809/4885CA12 4853/4885

“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.