SCHEMBL48601

SCHEMBL48601

CC(=O)C(Br)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ADRA1D P25100 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ENPP2 Q13822 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL1738688 0.79 ALDH1A1 (0.45) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL213363 0.75 ALDH1A1 (0.49) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL214314 0.75 ALDH1A1 (0.49) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL212020 0.75 ALDH1A1 (0.49) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL30661278 0.75 ALDH1A1 (0.49) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL27503812 0.75 AKR1C3 (0.67) ALDH1A1GAACYP3A4ADRA1DSMN1; SMN2
SCHEMBL27528949 0.75 CYP3A4 (0.44) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL84445 0.74 ALDH1A1 (0.47) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL30826369 0.74 ACP3 (0.45) ALDH1A1ADRA1DMEN1KMT2ACES2
SCHEMBL20535015 0.74 ACP3 (0.45) ALDH1A1ADRA1DMEN1KMT2ACES2

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 11 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
CN-100548996-C 5-phenylthiazole derivatives and their use for the preparation of medicaments NOVARTIS AG (CH) 2009-10-14 CN disclosed
CN-1639139-A 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2005-07-13 CN 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 ALDH1A1 3271/4885GAA 2233/4885CYP3A4 1453/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B ALDH1A1 3271/4885GAA 2233/4885CYP3A4 1453/4885

“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.