SCHEMBL517028

SCHEMBL517028

CC(C)(C)[Si](OC1CN(C(=O)O)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.38
BACE1 P56817 1/20 0.36
RORC P51449 2/20 0.34
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
RIPK1 Q13546 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL30065370 0.89 MEN1 (0.38) RBP4BACE1CHRM4CHRM3USP30
SCHEMBL5724086 0.89 RBP4 (0.36) RBP4BACE1RORCCHRM4CHRM3
SCHEMBL10105773 0.86 RORC (0.46) RORCUSP30
SCHEMBL516800 0.86 MEN1 (0.40) RBP4BACE1CHRM4CHRM3SMN1; SMN2
SCHEMBL5723900 0.82 SMN1; SMN2 (0.47) RORCCHRM4HTTSMN1; SMN2MEN1
SCHEMBL29051803 0.81 MEN1 (0.36) RBP4BACE1CHRM4CHRM3USP30
SCHEMBL29052240 0.81 MEN1 (0.36) RBP4BACE1CHRM4CHRM3USP30
SCHEMBL29051800 0.81 MEN1 (0.36) RBP4BACE1CHRM4CHRM3USP30
SCHEMBL16625300 0.80 PLA2G1B (0.39) RBP4MEN1KMT2A
SCHEMBL21222671 0.79 BACE1 (0.38) RBP4BACE1CHRM3CYP3A4HTT

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
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 US disclosed
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-8470811-B2 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-25 US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
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-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US 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 (6 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 RBP4 4102/4885BACE1 3246/4885RORC 1598/4885
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS HIF1AN, HIF1A, EGLN3 RBP4 1402/4885BACE1 3123/4885RORC 618/4885
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof HIF1AN, VHL, HIF1A RBP4 983/4885BACE1 2264/4885RORC 481/4885
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A RBP4 490/4885BACE1 3281/4885RORC 542/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B RBP4 4102/4885BACE1 3246/4885RORC 1598/4885
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof HIF1AN, VHL, HIF1A RBP4 782/4885BACE1 2484/4885RORC 641/4885

“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.